Assigning stereochemistry to single diastereoisomers by GIAO NMR calculation: the DP4 probability.

No abstract is available for this paper.

• Publication year

  2010

• Venue

  Journal of the American Chemical Society

• Publication date

  2010-08-26

• Fields of study

  Medicine, Chemistry

• Identifiers
  DOI 10.1021/ja105035rPMID 20795713
• External record

  Open on Semantic Scholar

• Source metadata

  Semantic Scholar, PubMed

• No claims are published for this paper.

• No concepts are published for this paper.

• Structure reassignment and absolute configuration of 9- epi -presilphiperfolan-1-ol

  2010cited by this paper
• Super silyl stereo-directing groups for complete 1,5-syn and -anti stereoselectivities in the aldol reactions of beta-siloxy methyl ketones with aldehydes.

  2010cited by this paper
• Novel neofusapyrones isolated from Verticillium dahliae as potent antifungal substances.

  2010cited by this paper
• The stereochemical assignment of acyclic polyols: a computational study of the NMR data of a library of stereopentad sequences from polyketide natural products

  2010cited by this paper
• Relative configuration of natural products using NMR chemical shifts.

  2009cited by this paper
• Discorhabdins revisited: cytotoxic alkaloids from southern australian marine sponges of the genera Higginsia and Spongosorites.

  2009cited by this paper
• A multi-standard approach for GIAO (13)C NMR calculations.

  2009cited by this paper
• DFT‐GIAO 1H and 13C NMR prediction of chemical shifts for the configurational assignment of 6β‐hydroxyhyoscyamine diastereoisomers

  2009cited by this paper
• Structural revisions of natural products by total synthesis.

  2009cited by this paper
• Relative stereochemical determination and synthesis of the C1-C17 fragment of a new natural polyketide.

  2009cited by this paper
• Total synthesis of aspergillide B and structural discrepancy of aspergillide A

  2009cited by this paper
• New natural products in the discorhabdin A- and B-series from New Zealand-sourced Latrunculia spp. sponges

  2009cited by this paper
• Assigning the stereochemistry of pairs of diastereoisomers using GIAO NMR shift calculation.

  2009cited by this paper
• Development of a concise and general enantioselective approach to 2,5-disubstituted-3-hydroxytetrahydrofurans.

  2009cited by this paper
• Can two molecules have the same NMR spectrum? Hexacyclinol revisited.

  2009cited by this paper
• Total synthesis of (+)-19-deoxyicetexone, (-)-icetexone, and (+)-5-epi-icetexone.

  2009cited by this paper
• (−)-epi-Presilphiperfolan-1-ol, a new triquinane sesquiterpene from the essential oil of Anemia tomentosa var. anthriscifolia (Pteridophyta)

  2009cited by this paper
• 13C‐NMR spectra of santalol derivatives: a comparison of DFT‐based calculations and database‐oriented prediction techniques

  2009cited by this paper
• Swerilactones A and B, anti-HBV new lactones from a tradtional Chinese herb: Swertia mileensis as a treatment for viral hepatitis.

  2009cited by this paper
• Total synthesis and structural revision of (+/-)-tricholomalides A and B.

  2009cited by this paper
• Synthesis of isohasubanan alkaloids via enantioselective ketone allylation and discovery of an unexpected rearrangement.

  2009cited by this paper
• Structural reassignment, absolute configuration, and conformation of hypurticin, a highly flexible polyacyloxy-6-heptenyl-5,6-dihydro-2H-pyran-2-one.

  2009cited by this paper
• Asymmetric total synthesis and revised structure of cephalezomine H.

  2009cited by this paper
• Gassman's intramolecular [2 + 2] cationic cycloaddition. formal total syntheses of raikovenal and epi-raikovenal.

  2008cited by this paper
• Concise, stereoselective route to the four diastereoisomers of 4-methylproline.

  2008cited by this paper
• Synthetic studies of cephalandole alkaloids and the revised structure of cephalandole A.

  2008cited by this paper
• New cytotoxic 14-membered macrolides from marine-derived fungus Aspergillus ostianus.

  2008cited by this paper
• Total synthesis of (+)-oocydin A: application of the Suzuki-Miyaura cross-coupling of 1,1-dichloro-1-alkenes with 9-alkyl 9-BBN.

  2008cited by this paper
• The Brosimum allene: a structural revision.

  2008cited by this paper
• Total synthesis and biological activity of neopeltolide and analogues.

  2008cited by this paper
• Structure revision and synthesis of a novel labdane diterpenoid from Zingiber ottensii.

  2008cited by this paper
• Computational modeling of a stereoselective epoxidation: reaction of carene with peroxyformic acid.

  2008cited by this paper
• Stereostructure assignment of flexible five-membered rings by GIAO 13C NMR calculations: prediction of the stereochemistry of elatenyne.

  2008cited by this paper
• Improved description of nuclear magnetic resonance chemical shielding constants using the M06-L meta-generalized-gradient-approximation density functional.

  2008cited by this paper
• Stereostructure assignment of medium-sized rings through an NMR-computational combined approach. Application to the new germacranes ketopelenolides C and D.

  2008cited by this paper
• Structure revision of spiroleucettadine, a sponge alkaloid with a bicyclic core meager in H-atoms.

  2008cited by this paper
• Synthesis and structural revision of (+/-)-laurentristich-4-ol.

  2008cited by this paper
• Structural reassignment of obtusallenes V, VI, and VII by GIAO-based density functional prediction.

  2008cited by this paper
• Enantioselective total syntheses of nankakurines A and B: confirmation of structure and establishment of absolute configuration.

  2008cited by this paper
• Structure revision of hassananes with use of quantum mechanical 13C NMR chemical shifts and UV-vis absorption spectra.

  2008cited by this paper
• First total syntheses of (+/-)-annuionone B and (+/-)-tanarifuranonol.

  2008cited by this paper
• Density functional theory calculation of 13C NMR shifts of diazaphenanthrene alkaloids: reinvestigation of the structure of samoquasine A.

  2008cited by this paper
• Determination of relative configuration in organic compounds by NMR spectroscopy and computational methods.

  2007cited by this paper
• On the structure of maitotoxin.

  2007cited by this paper
• Total synthesis and stereochemical reassignment of (+)-neopeltolide.

  2007cited by this paper
• A chemo-enzymatic route to diastereoisomers of 2-methyl-1-phenyl-1,3-butanediol: the dual role of microorganisms

  2007cited by this paper
• Gloriosaols A and B, two novel phenolics from Yucca gloriosa: structural characterization and configurational assignment by a combined NMR-quantum mechanical strategy

  2007cited by this paper
• Bicyclic peroxides and perorthoesters with 1,2,4-trioxane structures.

  2007cited by this paper
• Total synthesis of the putative structure of stemonidine: the definitive proof of misassignment.

  2007cited by this paper
• Total synthesis and revised structure of biyouyanagin A.

  2007cited by this paper
• Neopeltolide, a macrolide from a lithistid sponge of the family Neopeltidae.

  2007cited by this paper
• Systematic studies on the computation of nuclear magnetic resonance shielding constants and chemical shifts: The density functional models

  2007cited by this paper
• Artarborol, a nor-caryophyllane sesquiterpene alcohol from Artemisia arborescens. stereostructure assignment through concurrence of NMR data and computational analysis.

  2007cited by this paper
• Tether-directed synthesis of highly substituted oxasilacycles via an intramolecular allylation employing allylsilanes

  2007cited by this paper
• Total synthesis and structural elucidation of (-)-maurenone.

  2006cited by this paper
• Nankakurine B, A new alkaloid from Lycopodium hamiltonii and revised stereostructure of nankakurine A

  2006cited by this paper
• Terpenoids and a diarylheptanoid from Zingiber ottensii.

  2006cited by this paper
• Indole alkaloids from Cephalanceropsis gracilis.

  2006cited by this paper
• Predicting NMR spectra by computational methods: structure revision of hexacyclinol.

  2006cited by this paper
• Hybrid Density Functional Methods Empirically Optimized for the Computation of (13)C and (1)H Chemical Shifts in Chloroform Solution.

  2006cited by this paper
• Toward the complete prediction of the 1H and 13C NMR spectra of complex organic molecules by DFT methods: application to natural substances.

  2006cited by this paper
• Sesquiterpenes from the red alga Laurencia tristicha.

  2005cited by this paper
• Constituents of the leaves of Macaranga tanarius.

  2005cited by this paper
• Chirality and fragrance chemistry: stereoisomers of the commercial chiral odorants Muguesia and Pamplefleur.

  2005cited by this paper
• Chasing molecules that were never there: misassigned natural products and the role of chemical synthesis in modern structure elucidation.

  2005cited by this paper
• Biyouyanagin A, an anti-HIV agent from Hypericum chinense L. var. salicifolium.

  2005cited by this paper
• Calculated NMR as a tool for structural elucidation of jungianol and mutisianthol

  2005cited by this paper
• Isolation and Structure Determination of Aplidinones A‐C from the Mediterranean Ascidian Aplidium conicum: A Successful Regiochemistry Assignment by Quantum Mechanical 13C NMR Chemical Shift Calculations.

  2005cited by this paper
• Nankakurine A, a novel C16N2-type alkaloid from Lycopodium hamiltonii.

  2004cited by this paper
• Comparison of different theory models and basis sets in the calculation of 13C NMR chemical shifts of natural products

  2004cited by this paper
• Chemical shifts calculations on aromatic systems: a comparison of models and basis sets

  2004cited by this paper
• Asymmetric synthesis of four diastereomers of 3-hydroxy-2,4,6-trimethylheptanoic acid: proof of configurational assignment.

  2003cited by this paper
• Stereochemical elucidation of the 1,4 polyketide amphidinoketide I.

  2003cited by this paper
• Synthesis of the antifungal macrolide antibiotic (+)-roxaticin.

  2003cited by this paper
• Tricholomalides A-C, new neurotrophic diterpenes from the mushroom Tricholoma sp.

  2003cited by this paper
• Structure validation of natural products by quantum-mechanical GIAO calculations of 13C NMR chemical shifts.

  2002cited by this paper
• Determination of the relative stereochemistry of flexible organic compounds by Ab initio methods: conformational analysis and Boltzmann-averaged GIAO 13C NMR chemical shifts.

  2002cited by this paper
• A hybrid quantum mechanical and empirical model for the prediction of isotropic 13C shielding constants of organic molecules

  2002cited by this paper
• Cephalezomines G, H, J, K, L, and M, new alkaloids from Cephalotaxus harringtonia var. nana

  2002cited by this paper
• Icetexane and abietane diterpenoids from Salvia gilliessi.

  2000cited by this paper
• Low‐mode conformational search elucidated: Application to C39H80 and flexible docking of 9‐deazaguanine inhibitors into PNP

  1999cited by this paper
• MMFF VII. Characterization of MMFF94, MMFF94s, and other widely available force fields for conformational energies and for intermolecular‐interaction energies and geometries

  1999cited by this paper
• MMFF VI. MMFF94s option for energy minimization studies

  1999cited by this paper
• Interpretation of 13C NMR chemical shifts in halomethyl cations. On the importance of spin-orbit coupling and electron correlation

  1997cited by this paper
• Computed 13C NMR Chemical Shifts via Empirically Scaled GIAO Shieldings and Molecular Mechanics Geometries. Conformation and Configuration from 13C Shifts

  1997cited by this paper
• Merck molecular force field. I. Basis, form, scope, parameterization, and performance of MMFF94

  1996cited by this paper
• Merck molecular force field. V. Extension of MMFF94 using experimental data, additional computational data, and empirical rules

  1996cited by this paper
• Merck molecular force field. III. Molecular geometries and vibrational frequencies for MMFF94

  1996cited by this paper
• Electrochemical oxidation and structural changes of 5,6-dihydrobenzo[c]cinnolines

  1996cited by this paper
• Merck molecular force field. II. MMFF94 van der Waals and electrostatic parameters for intermolecular interactions

  1996cited by this paper
• Callipeltin A, an Anti-HIV Cyclic Depsipeptide from the New Caledonian Lithistida Sponge Callipelta sp.

  1996cited by this paper
• A comparison of models for calculating nuclear magnetic resonance shielding tensors

  1996cited by this paper
• Merck molecular force field. IV. conformational energies and geometries for MMFF94

  1996cited by this paper
• Ab Initio Calculation of Vibrational Absorption and Circular Dichroism Spectra Using Density Functional Force Fields

  1994cited by this paper
• Sesquiterpene coumarin ethers from asafetida

  1993cited by this paper
• Density-functional thermochemistry. III. The role of exact exchange

  1993cited by this paper
• Studies in polypropionate synthesis : a general approach to the synthesis of stereopentads

  1992cited by this paper
• An unbounded systematic search of conformational space

  1991cited by this paper
• Efficient implementation of the gauge-independent atomic orbital method for NMR chemical shift calculations

  1990cited by this paper
• Macromodel—an integrated software system for modeling organic and bioorganic molecules using molecular mechanics

  1990cited by this paper

• Elucidation of a New Snyderane‐Type Sesquiterpene from Okinawan Sea Hare Aplysia argus and Identification of Their Feeding Targets

  2026influential citation
• Configurational Assignment of Epoxides Using HMBC: DFT-Based Development, Experimental Validation, Scope, and Limitations.

  2026cites this paper
• Salinirifamycins A–E: Rifamycin S Derivatives from the Brazilian Marine Actinomycete Salinispora arenicola

  2026cites this paper
• Asymmetric Mannich Reaction of α-(2-Nitrophenylsulfenyl)imino Acetamide: A Cyclization-Driven Process

  2026cites this paper
• Total Synthesis and Complete Stereochemical Assignment of the Marine Bromotriterpenoid (+)-Callicladol through a Combined Approach Using Model Syntheses and Nuclear Magnetic Resonance Calculations.

  2026cites this paper
• Three new 14-noreudesmane-type sesquiterpenoids from the roots of Hippophae rhamnoides

  2026cites this paper
• From Human Labels to Literature: Semi-Supervised Learning of NMR Chemical Shifts at Scale

  2026cites this paper
• Antiplasmodial and cytotoxic activities of secondary metabolites from the leaves of Pleiocarpa bicarpellata Stapf (Apocynaceae)

  2026cites this paper
• Discovery and Characterization of Two Rare Copaene-type Norsesquiterpenes: Diapoterpenes A and B

  2026cites this paper
• CiSE: Chirality In Silico Structure Elucidation for Stereochemical Assignment of Natural and Synthetic Organic Compounds

  2026cites this paper
• Identification, synthesis and characterization of a unique N-glucuronide of an acid metabolite of camizestrant (AZD9833) in humans

  2026cites this paper
• Solvent Matters: Bridging Theory and Experiment in Quantum-Mechanical NMR Structural Elucidation.

  2026cites this paper
• A new cytochalasan metabolite with cytotoxic activity from the mangrove endophytic fungus Talaromyces sp. GDUT-10.

  2026cites this paper
• Rapid Assignment of Chemical Shifts From Crystal Structures in Solid-State NMR.

  2026cites this paper
• Galloylated Phenolics from Indian Gooseberry (Phyllanthus emblica L.) and Their Protein Tyrosine Phosphatase 1B (PTP1B) Inhibition

  2026cites this paper
• Unmasking the true nature of ciquitin A: VT-NMR and computational evidence for a pseudo-resonance structure

  2026cites this paper
• Targeted Discovery of β-Branched Conjugated Polyketides from Bacteria Based on Genomic and Metabolomic Hallmarks

  2026cites this paper
• Computation-Enhanced Structure Elucidation of Cyclopropane-Containing Polyketides Ikeiamides A-M.

  2026cites this paper
• SpectroIBIS: Automated Data Processing for Multiconformer Quantum Chemical Spectroscopic Calculations.

  2025cites this paper
• Enshuol epoxide, an unusual squalene-derived bromotriterpene from Laurencia omaezakiana and its biological evaluation

  2025cites this paper
• Total Synthesis of the Marine Diterpenoids Caucanolide E and F by Alkyne gem-Hydrogenation: Rigorous Reassignment of Two Almost Indistinguishable Diastereomers.

  2025cites this paper
• ent‐Atisane Diterpenoids with Anti‐Influenza Virus Activity from Mangrove Plant Excoecaria agallocha L.

  2025cites this paper
• Gregarithecinol, a Trichodiene/Bazzanene derivative from Gregarithecium curvisporum KT4079: DFT-supported Stereochemical elucidation of units linked by a rotatable bond

  2025cites this paper
• Phthalate-related metabolites from an endophytic Alternaria sp. YUD24001 associated with Aconitum hemsleyanum.

  2025cites this paper
• Complete 1H and 13C NMR Assignment of the ent-Labdane 2α-Hydroxyeperuic Acid Combining Conventional NMR Methods and HiFSA.

  2025cites this paper
• Cacomalides A–G, Manoalide‐Related Sesterterpenes With Anti‐Inflammatory Activities From the Marine Sponge Cacosponges sp.

  2025cites this paper
• A New Azaphilone Derivative from the Co-culture of Aspergillus versicolor and Aspergillus chevalieri

  2025influential citation
• Discovery of papyifuran A as an unusual cembrane diterpenoid from Boswellia papyrifera resin reveals EEF2 as a potent new drug target for fibrosis of multiple organs

  2025cites this paper
• External electric fields drive the formation of P → C dative bonds

  2025cites this paper
• Configurational assignments of type-I polyketide synthase (PKS)-derived natural products based on spectroscopic and chemical analysis: methodologies and case studies.

  2025cites this paper
• IMPRESSION generation 2 – accurate, fast and generalised neural network model for predicting NMR parameters in place of DFT.

  2025cites this paper
• Toward a unified benchmark and framework for deep learning-based prediction of nuclear magnetic resonance chemical shifts

  2025cites this paper
• Garynthone A–I, PPAPs with diverse skeletons isolated from Garcinia yunnanensis and their immunosuppressive activity

  2025cites this paper
• Artificial intelligence driven approaches in phytochemical research: trends and prospects

  2025influential citation
• Application N-aminophthalimide for effective and efficient synthesis of new 1,4- Dihydropyridine derivatives and electronic properties analyses, vibrational frequencies, NMR chemical shift analysis: A DFT study

  2025cites this paper
• Revisiting the Structure of Cacospongionolide E: An Approach Based on Empirical Rules and NMR Calculations.

  2025cites this paper
• Stereochemical Analysis of Natural Products: Bisindole Alkaloids of the Strychnos-Strychnos Type

  2025cites this paper
• Residual Chemical Shift Anisotropies in the Structure Determination of Small Molecules

  2025cites this paper
• Efficient Workflow for Structural Elucidation Applied to Solidagenone Derivative: Combining the Speed of ML-J-DP4 Screening with the Precision of DP4+.

  2025cites this paper
• Stereocontrolled synthesis of an α–monosubstituted α–amino acid derivative from a Ugi reaction product

  2025cites this paper
• Experimental and Computational NMR Studies of Large Alkaloids Exemplified With Vindoline Trimer: Advantages and Limitations

  2025cites this paper
• Mending Ties with Halogens. HALO-DP4+: An Approach for DP4+ Calculations in Organohalogenated Molecules.

  2025cites this paper
• Jejupeptins A and B: Polyketide-Cyclic Peptide Hybrids with Anti-Corticosterone Activity from Streptomyces sp. KCB15JA151.

  2025cites this paper
• Phenolic compound from the aerial parts of Artemisia vachanica Krasch. ex Poljakov.

  2025cites this paper
• NMRexp: A database of 3.3 million experimental NMR spectra

  2025cites this paper
• Structural Elucidation using Highly Sensitive Labeling Reagents and Total Synthesis of a New Anoikis Inducer Amoxetamide A.

  2025cites this paper
• New diterpenoids from Euphorbia wallichii with antioxidant activity.

  2025cites this paper
• Discovery of Antivirulence ClpP Inhibitors by Self-Resistance Gene-Guided Mining Coupled with Dual Functional Screening.

  2025cites this paper
• Towards automatically verifying chemical structures: the powerful combination of 1H NMR and IR spectroscopy

  2025cites this paper
• Isolation of 6,7-iso-Felinone A: A Configurational Reinvestigation of Related Fungal Metabolites.

  2025cites this paper
• Exploring the Frontiers of Computational NMR: Methods, Applications, and Challenges

  2025cites this paper
• Computation of 1H NMR chemical shifts: structural assessment of energetic materials

  2025cites this paper
• An Empirical Equation to Transform 11B GIAO‐Calculated Absolute Shieldings (σ, ppm) in Chemical Shifts (δ, ppm)

  2025cites this paper
• Determination of the Preferred Stereoisomer of Natural Product Bisabolol in Chloroform Solution through Quantum Chemical Calculations of 1H NMR Chemical Shifts

  2025cites this paper
• Computationally Assisted Stereochemical Elucidation of Intermediates Encountered En Route to Pyrrole-Imidazole Natural Products: NMR Chemical Shift Calculations Utilizing CREST/DP4+ Applied to Oxidative Spirocyclizations of Tetrahydrobenzimidazoles.

  2025cites this paper
• NMRGen: A Generative Modeling Framework for Molecular Structure Prediction from NMR Spectra

  2025cites this paper
• Anti-neuroinflammatory sesquiterpene lactones from Achillea millefolium L

  2025cites this paper
• Reconsidering the Structures of Tetillapyrone, Nortetillapyrone, Ochraceopyronide, and Rhizoaspergillin A.

  2025cites this paper
• Isolation and Identification of Xanthone, Benzofuran, and Spirolactone Derivatives from Dinemasporium parastrigosum KT4144 and Their Plausible Biosynthetic Pathways.

  2025cites this paper
• The Heat-Shock Metabolite Streptolactam D, Produced by High-Temperature Culture of Streptomyces sp. JA74, Promotes Thermotolerance via Self-Membrane Stabilization

  2025cites this paper
• Chemical constituents of a marine-derived fungus Aspergillus sp. HL24 and their cytotoxic activity

  2025cites this paper
• Overcoming the ring tension: computational approaches to stereochemical assignments and geometrical insights in small heterocycles.

  2025cites this paper
• Anacyphrethines A and B as potent analgesics: Multiple ion channel inhibitors with an unprecedented chemical architecture

  2025cites this paper
• A new nemoralisin-type diterpenoid from Aglaia lawii.

  2025cites this paper
• Phytochemicals from a Desert Crop, Sand Rice (Agriophyllum squarrosum), and Their Inflammatory Activity

  2025cites this paper
• A validated experimental NMR parameter dataset of organic molecules to assist benchmarking of 3D structure determination methods.

  2025cites this paper
• Exploring microbial natural products through NMR-based metabolomics.

  2025cites this paper
• Isolation and Computer-Based Structural Determination of Madangolide B.

  2025cites this paper
• Computational stereochemical assignment of two new diastereoisomeric tetrahydrofuranoid-lignans from the roots of Taxus wallichiana (Taxaceae).

  2025cites this paper
• Metabolic Shunting in Marine-Derived Diaporthe sp. SYSU-MS4722 Yields Diverse γ-Butyrolactone Derivatives with Anti-inflammatory Activity.

  2025cites this paper
• Anisotropic Nuclear Magnetic Resonance Spectroscopy and Density Functional Theory Methodologies Combine with CASE‐3D Analysis for Unambiguous Diastereomeric Differentiation of AMG 176 Macrocycles

  2025cites this paper
• Practical Machine Learning Strategies 4: Using Neural Networks to Replicate Proton and 13C NMR Chemical Shifts Obtained from ωB97X-D/6-31G* Density Functional Calculations.

  2025cites this paper
• Synthesis and structure revision of wasulfisides: glucosyl disulfides isolated from wasabi

  2025cites this paper
• Enhanced diastereomeric mixture analysis through integration of quantum chemical calculations with spatio-conformational information obtained from ultraselective NMR techniques

  2025cites this paper
• 129Xe Nuclear Magnetic Resonance in Polymeric Membranes: A Computational Study of the Effect of Pore Size and Void Distribution on the Xenon Chemical Shift

  2025cites this paper
• Synthesis of Cyclobutane‐Containing Tricyclic β‐Lactams Based on a Saturated Scaffold Enabled by Iron‐catalysed [2 + 2]‐Cycloaddition

  2025cites this paper
• Notation-level confounding: When inconsistent molecular notations mislead chemical language models

  2025cites this paper
• Enhancing NMR shielding predictions of atoms-in-molecules machine learning models with neighborhood-informed representations.

  2025cites this paper
• Discovery, structure revision, synthesis, and application of all known and even unknown securingine alkaloids.

  2025cites this paper
• Machine learning in NMR spectroscopy.

  2025cites this paper
• Structure Revision of Pyranoxanthones via DFT-Assisted 13C NMR Analysis and NAPROC-13 Platform: Diagnostic Markers and Discovery of Unreported Natural Products

  2025cites this paper
• Anti-neuroinflammatory polyprenylated acylphloroglucinols from Hypericum patulum: LC-MS/MS-guided isolation, semi-synthesis, and TLR4 inhibition.

  2025cites this paper
• Towards quantitative prediction of proton chemical shifts in imidazolium chloride ionic liquids by computational NMR.

  2025cites this paper
• Sarcocinerenolides A, an open-loop decarbonizing cembranolide, and sarcocinerenolides B-I, eight polyoxygenated cembranolides with anti-thrombotic activity from the South China Sea soft coral Sarcophyton cinereum.

  2024cites this paper
• Discovery of sesquiterpenoids from the roots of Chloranthus henryi Hemsl. var. hupehensis (Pamp.) K. F. Wu and their anti-inflammatory activity by IKBα/NF-κB p65 signaling pathway suppression.

  2024cites this paper
• Discovery of a lagriamide polyketide by integrated genome mining, isotopic labeling, and untargeted metabolomics

  2024cites this paper
• Antibacterial Polyketides from the Deep-Sea Cold-Seep-Derived Fungus Talaromyces sp. CS-258

  2024cites this paper
• Proposal for structure revision of pinofuranoxin A through total syntheses of stereoisomers

  2024influential citation
• Ent-kaurane glycosides from Stevia rebaudiana and their α-glucosidase inhibition

  2024cites this paper
• Six new phenylpropanoids from Kaempferia galanga L. and their anti-inflammatory activity.

  2024cites this paper
• Stereoselective Preparation of the Tricyclic Hexasubstituted Spirocyclopropane Core of Cyclohelminthol X.

  2024cites this paper
• Antiproliferative piperidine alkaloids from the leaves of Alocasia macrorrhiza.

  2024cites this paper
• HSQC Spectra Simulation and Matching for Molecular Identification

  2024cites this paper
• Isolation of Paraphaeoketones: A Plausible Biosynthetic Explanation for Paraphaeolactones via a Benzilic Acid Rearrangement Rather than a Favorskii Rearrangement.

  2024cites this paper
• Discovery of Terminal Oxazole-Bearing Natural Products by a Targeted Metabologenomic Approach.

  2024cites this paper
• Structurally diverse phthalides from fibrous roots of Ligusticum chuanxiong Hort. and their biological activities.

  2024cites this paper
• Structural characterization of two new stereoisomeric furofuran lignans using modern spectroscopic methods and quantum chemical calculation

  2024cites this paper
• Deciphering molecular structures: NMR spectroscopy and quantum mechanical insights of halogenated 4H-Chromenediones.

  2024cites this paper
• Kagimminols A and B, Cembrene-Type Diterpenes from an Okeania sp. Marine Cyanobacterium.

  2024cites this paper
• Anti-inflammatory monoterpenes from morinda (Morinda officinalis how.).

  2024cites this paper