基于自主研发的500MHzNMR谱仪的紫杉醇结构解析  

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

作　　者：周琪[1,2] 黄重阳[2] 高珊[1,2] 汪慧娟[2] 冯继文[2] 刘朝阳[2] 张金枝[1] 邹其超[1] ZHOU Qi;HUANG Chong-yang;GAO Shan;WANG Hui-juan;FENG Ji-wen;LIU Chao-yang;ZHANG Jin-zhi;ZOU Qi-chao(College of Chemistry and Chemical Engineering, Hubei University, Wuhan 430062, China;State Key Laboratory of Magnetic Resonance and Atomic Molecular Physics, National Center for Magnetic Resonance in Wuhan (Wuhan Institute of Physics and Mathematics, Chinese Academy of Sciences), Wuhan 430071, China)

机构地区：[1]湖北大学化学化工学院,湖北武汉430062 [2]波谱与原子分子物理国家重点实验室,武汉磁共振中心(中国科学院武汉物理与数学研究所),湖北武汉430071

出　　处：《波谱学杂志》2017年第1期52-60,共9页Chinese Journal of Magnetic Resonance

基　　金：国家自然科学基金资助项目(11575287,11405264);国家重大科学仪器设备开发专项(2011YQ120035)

摘　　要：中国科学院武汉物理与数学研究所(WIPM)于2010年成功研制了500 MHz(WIPM-I 500)高分辨超导核磁共振(NMR)谱仪,并将其投入实际应用中.然而,关于其二维核磁共振(2D NMR)谱图的准确性及在此基础上对复杂物质的结构解析尚无系统完整的数据报道.该文利用WIPM-I 500型NMR谱仪,对紫杉醇样品进行了1D NMR及2D NMR(包括~1H-~1H COSY、~1H-~1H TOCSY、J-Res、~1H-^(13)C HMQC和~1H-^(13)C HMBC)实验,将谱图分析结果与进口仪器进行了对比.结果表明:利用WIPM-I 500型NMR谱仪能够采集准确的2D NMR谱图,为紫杉醇的正确归属提供了实验基础;而且该文也纠正了文献中对紫杉醇的错误归属.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.

关 键 词：国产核磁共振谱仪(WIPM-I500型NMR谱仪) 二维核磁共振 结构归属 紫杉醇 

分 类 号：O482.53[理学—固体物理]