抗癌药物冬凌草甲素的分子构型研究  

Studies of Molecular Configuration of Oridonin by 2D-NMR

作　　者：杨延武[1] 许肖龙[1] 王德华[1] 钱保功[1] 赵清治[2] 姬昂[2] 

机构地区：[1]中国科学院武汉物理研究所波谱与原子分子物理开放研究实验室,武汉430071 [2]河南医科大学化学教研室,郑州450052

出　　处：《化学学报》1992年第5期498-503,共6页Acta Chimica Sinica

基　　金：国家自然科学基金资助的课题

摘　　要：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。Two dimensional heteronuclear and homonuclear chemical shift correlation NMR experiments have been used for the complete assignment of all proton chemical shifts of oridonin, and the coupling constants of oridonin were measured by one dimentional ~1H and2D-J resolved spectra. The dihedral angles were calculated by using a series of modified Karplus equations. The relative configuration of oridonin was calculated from dihedral angles and standard bond lengths.

关 键 词：抗癌药 冬凌草甲素 分子构型 

分 类 号：R284.1[医药卫生—中药学]