化学学报 ›› 1992, Vol. 50 ›› Issue (5): 498-503. 上一篇    下一篇

研究论文

抗癌药物冬凌草甲素的分子构型研究

杨延武;许肖龙;王德华;钱保功;赵清治;姬昂   

  1. 中国科学院波谱与原子分子物理开放实验室;河南医科大学化学教研室
  • 发布日期:1992-05-15

Studies of molecular configuration of oridonin by 2D-NMR

YANG YANWU;XU XIAOLONG;WANG DEHUA;QIAN BAOGONG;ZHAO QINGZHI;JI ANG   

  • Published:1992-05-15

本文用同核化学位移相关谱和二维J分解谱归属了冬凌草甲素的^1H谱, 测定了所有的质子标量偶合常数, 根据一系列的Karplus公式计算了二面角, 用自编WUPH计算程序, 计算出冬凌草甲素的分子构型。

关键词: 抗癌药, 质子磁共振谱法, 冬凌草甲素, 计算机程序, 分子构型

Two dimensional heteronuclear and homonuclear chem. shift correlation NMR experiments have been used for the complete assignment of all proton chem. shifts of oridonin (I), and the coupling constants of oridonin were measured by one dimensional 1H and 2D-J resolved spectra. The dihedral angles were calculated by using a series of modified Karplus equations. The relative configuration of I was calculated from dihedral angles and standard bond lengths.

Key words: ANTICARCINOGEN, PROTON MAGNETIC RESONANCE SPECTROMETRY, RUBDESCENSINE A, COMPUTER PROGRAM, MOLECULAR CONFIGURATION

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