Predicting NMR spectra by computational methods: structure revision of hexacyclinol.
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Computer-assisted methods for molecular structure elucidation: realizing a spectroscopist's dreamSocial Media, Peer Review, and Responsible Conduct of Research (RCR) in Chemistry: Trends, Pitfalls, and PromisesNaturally diverse: highlights in versatile synthetic methods enabling target- and diversity-oriented synthesis.Intramolecular dehydro-Diels-Alder reaction affords selective entry to arylnaphthalene or aryldihydronaphthalene lignans(+)-hexacyclinol.Effect of conformational rigidity on the stereoselectivity of nucleophilic additions to five-membered ring bicyclic oxocarbenium ion intermediatesUsing NMR to identify and characterize natural products.Addressing the stereochemistry of complex organic molecules by density functional theory-NMR: vannusal B in retrospectiveA guide to small-molecule structure assignment through computation of (¹H and ¹³C) NMR chemical shifts.Hyperisampsins H-M, Cytotoxic Polycyclic Polyprenylated Acylphloroglucinols from Hypericum sampsonii.Structure revision of spiroleucettadine, a sponge alkaloid with a bicyclic core meager in H-atomsZephycandidine A, the First Naturally Occurring Imidazo[1,2-f]phenanthridine Alkaloid from Zephyranthes candida, Exhibits Significant Anti-tumor and Anti-acetylcholinesterase Activities.Interrogating the bioactive pharmacophore of the latrunculin chemotype by investigating the metabolites of two taxonomically unrelated sponges.Asymmetric synthesis of tertiary thiols and thioethers.Walking in the woods with quantum chemistry--applications of quantum chemical calculations in natural products research.Natural products with anti-Bredt and bridgehead double bonds.Conformational analysis of δ-lactones by DFT calculations: the parent compound and its monomethyl and selected dimethyl derivatives.Misassigned natural products and their revised structures.Asymmetric transformations of achiral 2,5-cyclohexadienones.Computational Chemistry to the Rescue: Modern Toolboxes for the Assignment of Complex Molecules by GIAO NMR Calculations.Redox-Dependent Transformation of a Hydrazinobuckybowl between Curved and Planar Geometries.A distinctive structural twist in the aminoimidazole alkaloids from a calcareous marine sponge: isolation and characterization of leucosolenamines A and BPlakilactones G and H from a marine sponge. Stereochemical determination of highly flexible systems by quantitative NMR-derived interproton distances combined with quantum mechanical calculations of (13)C chemical shifts.1H NMR spectra of alcohols and diols in chloroform: DFT/GIAO calculation of chemical shifts.Unambiguous structure elucidation of heterocyclic products from condensation-cyclisation reactions of enaminones by 2D INADEQUATE and 15N NMR.Structure verification through computer-assisted spectral assignment of NMR spectra.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.A computational investigation of the structure of polythiocyanogen.Secondary Metabolites from Higher Fungi.Structural determination of complex natural products by quantum mechanical calculations of (13)C NMR chemical shifts: development of a parameterized protocol for terpenes.Synthesis and Structure Revision of Dichrocephones A and B.Structural revision of two unusual rhamnofolane diterpenes, curcusones I and J, by means of DFT calculations of NMR shifts and coupling constants.Intramolecular hydrogen bonding in conformationally semi-rigid α-acylmethane derivatives: a theoretical NMR study.Two New Terpenoids from Talaromyces purpurogenus.Challenges in computational organic chemistrySynthesis and Structure Revision of Dichrocephones A and BPeroxy natural products
P2860
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P2860
Predicting NMR spectra by computational methods: structure revision of hexacyclinol.
description
2006 nî lūn-bûn
@nan
2006 թուականի Յունիսին հրատարակուած գիտական յօդուած
@hyw
2006 թվականի հունիսին հրատարակված գիտական հոդված
@hy
2006年の論文
@ja
2006年論文
@yue
2006年論文
@zh-hant
2006年論文
@zh-hk
2006年論文
@zh-mo
2006年論文
@zh-tw
2006年论文
@wuu
name
Predicting NMR spectra by computational methods: structure revision of hexacyclinol.
@ast
Predicting NMR spectra by computational methods: structure revision of hexacyclinol.
@en
Predicting NMR spectra by computational methods: structure revision of hexacyclinol.
@nl
type
label
Predicting NMR spectra by computational methods: structure revision of hexacyclinol.
@ast
Predicting NMR spectra by computational methods: structure revision of hexacyclinol.
@en
Predicting NMR spectra by computational methods: structure revision of hexacyclinol.
@nl
prefLabel
Predicting NMR spectra by computational methods: structure revision of hexacyclinol.
@ast
Predicting NMR spectra by computational methods: structure revision of hexacyclinol.
@en
Predicting NMR spectra by computational methods: structure revision of hexacyclinol.
@nl
P356
P1433
P1476
Predicting NMR spectra by computational methods: structure revision of hexacyclinol.
@en
P2093
Scott D Rychnovsky
P304
P356
10.1021/OL0611346
P407
P577
2006-06-01T00:00:00Z