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秃毛冬青甲素分子结构及晶体结构的测定
THE CRYSTAL AND MOLECULAR STRUCTURE OF GLABERIDE I
【摘要】 <正> 秃毛冬青甲素为一种新木脂类化合物,在氯仿中重结晶得无色透明的六边形晶体,它的分子式为C14H16O6,分子量280.09,计算密度1.443g/cm3,m.p.195~197℃.化学结构分析表明结构式如下:
【Abstract】 Glaberide I(C14H16O6) isolate from Ilex pubescens HOOK et Arn var. glaber Chang is used to cure heart disease. The crystal of glaberide I belongs to monoclinic system, space group P21/c. There are four molecules in an unit cell with parameters α=10.619A, b=7.157A, c=17.129A and β=98.7°. The number of three-dimensional intensity data collected by PW-1100 four-circle diffractometer amounts to 2349. The structure was solved by direct method and refined by full matrix least-squares method with final R=0.11.The result showed that the two five-membered rings are cis-fused and the hydrogen atoms connected to carbon atoms 5 and 6 respectively are trans to each other. Hydrogen-bonding is shown to exist between two molecules related with the symmetrical centre in the unit cell.(Fig.3 and 4 of the Chinese Text).
- 【文献出处】 化学学报 ,Acta Chimica Sinica , 编辑部邮箱 ,1982年05期
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