First example of conformational exchange in a natural taxane enolate |
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Authors: | Shi Qing Wen Sauriol Françoise Park Yong Smith V H Lord Gabriel Zamir Lolita O |
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Institution: | Human Health Research Center, INRS-Institut Armand-Frappier, Université du Quebec, 531 Boulevard des Prairies, Laval, Quebec, Canada H7V 1B7. |
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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. |
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Keywords: | NMR 1H NMR taxane conformation |
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