NATURAL PRODUCT RESEARCH AND DEVELOPMENT ›› 2022, Vol. 34 ›› Issue (增刊2): 18-25.

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Structural analysis of cephalomannine by nuclear magnetic resonance spectroscopy

LIU Ya-qin*,YU Ming-xin,HE Ling   

  1. Department of Chemistry, Zhejiang University, Hangzhou 310027,China
  • Online:2022-12-07 Published:2022-12-07

Abstract:

Cephalomannine is a paclitaxel compound with antitumor effect and an important pharmaceutical intermediate. All NMR signals were assigned by using 1H NMR,1H-1H COSY,13C NMR and DEPT135,1H-13C HSQC and HMBC.At the same time,according to the characteristics of cephalomannine molecule,and ROESY is tentatively introduced to characterize spatial correlation in order to obtain richer spatial information.The 1H NMR spectrum of cephalomannine showed multiple groups of proton signals,a total of 30 protons;13C NMR spectrum showed that there were 41 groups of carbon atom signals in the sample molecule,which contained 45 carbon atoms and overlapping peaks;DEPT135 spectrum showed 3 groups of secondary carbon,29 groups of tertiary carbon and the rest were quaternary carbon.The connection information between carbon and hydrogen,the identification of adjacent hydrogen atoms on the chemical bond,the remote correlation information and the spatial correlation information is confirmed by the two-dimensional spectrum.The structure of the analytical object in this study is relatively complex,which is conducive to molecular structure further confirmed by two-dimensional NMR data.

Key words: two-dimensional nuclear magnetic resonance (2D NMR) spectroscopy, cephalomannine, structural analysis, ROESY spectroscopy

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