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Stereostructure Assignment of Medium-Sized Rings through an NMR−Computational Combined Approach. Application to the New Germacranes Ketopelenolides C and D

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What this work says

Outgoing claims: the papers this work cites, builds on, or argues with.

inferredcites →https://doi.org/10.1002/1521-3765(20020715)8:14<3240::aid-chem3240>3.0.co;2-gopenalex-snapshot
Determination of the Relative Stereochemistry of Flexible Organic Compounds by Ab Initio Methods: Conformational Analysis and Boltzmann-Averaged GIAO 13C NMR Chemical Shifts GIAO=gauge including atomic orbitals.
inferredcites →https://doi.org/10.1002/jcc.540150207openalex-snapshot
Derivation of class II force fields. I. Methodology and quantum force field for the alkyl functional group and alkane molecules
inferredcites →https://doi.org/10.1002/mrc.1410openalex-snapshot
Comparison of different theory models and basis sets in the calculation of13C NMR chemical shifts of natural products
inferredcites →https://doi.org/10.1016/s0031-9422(00)90410-2openalex-snapshot
Sesquiterpene lactones from Ajania fruticulosa
inferredcites →https://doi.org/10.1016/s0040-4039(01)90788-9openalex-snapshot
The structure of arborescin
inferredcites →https://doi.org/10.1016/s0040-4039(03)01810-0openalex-snapshot
Configurational analysis of the natural product passifloricin A by quantum mechanical 13C NMR GIAO chemical shift calculations
inferredcites →https://doi.org/10.1021/cr030733copenalex-snapshot
Determination of Relative Configuration in Organic Compounds by NMR Spectroscopy and Computational Methods
inferredcites →https://doi.org/10.1021/ja00011a006openalex-snapshot
High-field FT NMR application of Mosher's method. The absolute configurations of marine terpenoids
inferredcites →https://doi.org/10.1021/ja01111a530openalex-snapshot
2,6-DI-BUTYLPYRIDINE—AN UNUSUAL PYRIDINE BASE
inferredcites →https://doi.org/10.1021/jf070503popenalex-snapshot
Broad Tuning of the Human Bitter Taste Receptor hTAS2R46 to Various Sesquiterpene Lactones, Clerodane and Labdane Diterpenoids, Strychnine, and Denatonium
inferredcites →https://doi.org/10.1021/jo00067a056openalex-snapshot
Studies on the syntheses of sesquiterpene lactones. 15. Syntheses of four possible diastereoisomers of Bohlmann's structure of isoepoxyestafiatin. The stereochemical assignment of isoepoxyestafiatin
inferredcites →https://doi.org/10.1021/jo00836a083openalex-snapshot
Crystal structure of hydroxypelenolide p-bromobenzoate
inferredcites →https://doi.org/10.1021/np050120qopenalex-snapshot
Cytotoxic Germacrane Sesquiterpenes from the Aerial Parts of Santolina insularis
inferredcites →https://doi.org/10.1021/ol070803sopenalex-snapshot
Artarborol, a nor-Caryophyllane Sesquiterpene Alcohol from Artemisia arborescens. Stereostructure Assignment through Concurrence of NMR Data and Computational Analysis
inferredcites →https://doi.org/10.1039/b407376mopenalex-snapshot
Natural sesquiterpenoids
inferredcites →https://doi.org/10.1055/s-2001-11998openalex-snapshot
On the Absolute Configuration of Matricin
inferredcites →https://doi.org/10.1063/1.475428openalex-snapshot
Exchange functionals with improved long-range behavior and adiabatic connection methods without adjustable parameters: The mPW and mPW1PW models

What points at this work

Incoming claims: where this work appears in other papers’ reference lists and arguments.

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Guaianolides from Artemisia codonocephala suppress interleukine-1β secretion in macrophages
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Synthesis and Biological Evaluation of Antitumor‐Active Arglabin Derivatives
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Computational Chemistry to the Rescue: Modern Toolboxes for the Assignment of Complex Molecules by GIAO NMR Calculations
inferred← citeshttps://doi.org/10.1002/cmdc.70421openalex-snapshot
HetCA/STOCSY‐Guided Dereplication of Artemisia arborescens Reveals Furofuran Lignans with Antileishmanial Effects
inferred← citeshttps://doi.org/10.1002/ejoc.200901255openalex-snapshot
Quantum Mechanical Calculation of NMR Parameters in the Stereostructural Determination of Natural Products
inferred← citeshttps://doi.org/10.1002/mrc.2396openalex-snapshot
The application of empirical methods of 13 C NMR chemical shift prediction as a filter for determining possible relative stereochemistry
inferred← citeshttps://doi.org/10.1002/mrc.2571openalex-snapshot
Empirical and DFT GIAO quantum‐mechanical methods of 13C chemical shifts prediction: competitors or collaborators?
inferred← citeshttps://doi.org/10.1002/ptr.5133openalex-snapshot
In vitro Antitumoral Activity of Compounds Isolated from Artemisia gorgonum Webb
inferred← citeshttps://doi.org/10.1007/978-3-030-59444-2_3openalex-snapshot
New Techniques of Structure Elucidation for Sesquiterpenes
inferred← citeshttps://doi.org/10.1016/j.fitote.2025.106583openalex-snapshot
Argolide from Artemisia glabella Kar. et Kir. and syntheses of new biologically active compounds
inferred← citeshttps://doi.org/10.1016/j.molstruc.2011.01.012openalex-snapshot
The structure elucidation of isomalyngamide K from the marine cyanobacterium Lyngbya majuscula by experimental and DFT computational methods
inferred← citeshttps://doi.org/10.1016/j.tet.2010.06.022openalex-snapshot
The stereochemical assignment of acyclic polyols: a computational study of the NMR data of a library of stereopentad sequences from polyketide natural products
inferred← citeshttps://doi.org/10.1016/j.tet.2011.06.095openalex-snapshot
Three-component conformational equilibria of some flexible pyrrolidin-2-(thi)ones in solution by NMR data (δC, δH, and nJHH) and their DFT predictions: a confrontation of different approaches
inferred← citeshttps://doi.org/10.1021/ja105035ropenalex-snapshot
Assigning Stereochemistry to Single Diastereoisomers by GIAO NMR Calculation: The DP4 Probability
inferred← citeshttps://doi.org/10.1021/ja304554eopenalex-snapshot
Total Synthesis and Structure Confirmation of Elatenyne: Success of Computational Methods for NMR Prediction with Highly Flexible Diastereomers
inferred← citeshttps://doi.org/10.1021/jo3008447openalex-snapshot
Application of the Multi-standard Methodology for Calculating 1H NMR Chemical Shifts
inferred← citeshttps://doi.org/10.1021/jo900408dopenalex-snapshot
Assigning the Stereochemistry of Pairs of Diastereoisomers Using GIAO NMR Shift Calculation
inferred← citeshttps://doi.org/10.1021/jo901234hopenalex-snapshot
A Multi-standard Approach for GIAO 13 C NMR Calculations
inferred← citeshttps://doi.org/10.1021/jp2060975openalex-snapshot
Regression Formulas for Density Functional Theory Calculated 1H and 13C NMR Chemical Shifts in Toluene-d8
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Polyaxibetaine, an Amino Acid Derivative from the Marine Sponge Axinella polypoides
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Methods of NMR Spectrum Prediction and Structure Verification
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Methods of Relative Stereochemistry Determination in CASE Systems
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Natural sesquiterpenoids
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Successful combination of computationally inexpensive GIAO 13C NMR calculations and artificial neural network pattern recognition: a new strategy for simple and rapid detection of structural misassignments
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Three New Spongian Diterpenes from the Fijian Marine Sponge Spongia sp
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