Structure Elucidation of Taxol Based on Two-Dimensional NMR Spectra Collected on a 500 MHz NMR Spectrometer Built In-House

doi:10.11938/cjmr20170107

Abstract

Abstract: A 500 MHz NMR spectrometer was successfully built in-house in Wuhan Institute of Physics and Mathematics in 2006, and it had been used for researches in many areas. However, the performance of this spectrometer in acquiring two-dimensional (2D) NMR spectra needed for structure elucidation had not been evaluated until now. In this paper, we acquired all the one-dimensional (1D) and 2D (i.e., ¹H-¹H COSY, ¹H-¹H TOCSY, J-Res, ¹H-¹³C HMQC and ¹H-¹³C HMBC) NMR spectra of taxol on this spectrometer, and used these spectra to elucidate the structure of the compound. The results showed that, with the spectra acquired on the 500 MHz NMR spectrometer built in-house, the structure of taxol could be elucidated correctly. We also corrected some incorrect NMR assignments of taxol existing in the literature.

Key words: two-dimensional NMR, structure elucidation, taxol, 500 MHz NMR spectrometer built in-house (WIPM-I 500)

CLC Number:

O482.53

ZHOU Qi, HUANG Chong-yang, GAO Shan, WANG Hui-juan, FENG Ji-wen, LIU Chao-yang, ZHANG Jin-zhi, ZOU Qi-chao. Structure Elucidation of Taxol Based on Two-Dimensional NMR Spectra Collected on a 500 MHz NMR Spectrometer Built In-House[J]. Chinese Journal of Magnetic Resonance, 2017, 34(1): 52-60.

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