Methyl 3-[(chloro-meth-oxy)carbon-yloxy]-7-hy-droxy-cholan-24-oate.
Methyl 3-[(chloro-meth-oxy)carbon-yloxy]-7-hy-droxy-cholan-24-oate.
复制标题
3-[(氯甲氧基)羰氧基]-7-羟基胆烷-24-酸甲酯
DOI：
10.1107/s160053681301725x
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发表时间：
2013
期刊：
影响因子：
--
通讯作者：
Liu H
中科院分区：
文献类型：
--
作者：
Zhong JL;Sun WX;Zhang FL;Liu LH;Liu H
标题化合物C27H43ClO6是熊去氧胆酸的衍生物，其中3位的羟基被氯甲氧羰基取代，24位的羧基被甲基化。A环和B环是顺式熔接的，而其他环都是反式熔接的。在晶体中，由于弱的C-H⋯O氢键，位于b轴方向的两个相邻分子头尾相连。因此，每个分子通过四个C-H⋯O氢键与四个相邻分子相连，其中7位的OH基团和酯基的羰基O原子作为受体位点。
The title compound, C27H43ClO6, is a derivative of ursodeoxycholic acid, in which the OH group at the 3-position is substituted by a chloromethoxycarbonyloxy substituent and the carboxylic acid group at the 24-position is methylated. The A and B rings are cis-fused, while all other rings are trans-fused. In the crystal, two adjacent molecules located along the b-axis direction are interlocked head-to-tail due to weak C—H⋯O hydrogen bonds. Therefore each molecule is linked to four neighbouring molecules by four C—H⋯O hydrogen bonds, with the OH group at the 7-position and the carbonyl O atom of the ester group acting as the acceptor sites.