title: First example of conformational exchange in a natural taxane enolate.
abstract: A detailed NMR study and full assignments of the (1)H- and (13)C-NMR spectral data for a novel enolate taxane isolated from Taxus canadensis needles is described. The structures of two stable conformers were established using a combination of 1D and 2D NMR techniques including (1)H, (1)H-COSY, gs-HMQC, gs-HMBC, NOESY and T-ROESY. Ab initio quantum mechanical calculations were performed on the B3LYP/6-31G* level of basis set to assist the NMR findings.
authors: Human Health Research Center, INRS-Institut Armand-Frappier, Université du Quebec, 531 Boulevard des Prairies, Laval, Quebec, Canada H7V 1B7.
authors: Qing Wen
authors: QW
authors: Shi
authors: Françoise
authors: F
authors: Sauriol
authors: Yong
authors: Y
authors: Park
authors: V H
authors: VH
authors: Smith
authors: Gabriel
authors: G
authors: Lord
authors: Lolita O
authors: LO
authors: Zamir
mesh_terms: D002247:Carbon Isotopes; D018360:Crystallography, X-Ray; D009682:Magnetic Resonance Spectroscopy / Q000379:methods* / Q000592:standards; D008958:Models, Molecular; D008968:Molecular Conformation; D011522:Protons; D012015:Reference Standards; D013237:Stereoisomerism; D043823:Taxoids / Q000737:chemistry*
chemical_list: D002247:Carbon Isotopes; D011522:Protons; D043823:Taxoids