Isolation and Crystal Structure of Stigmast-4-ene-3,6-diol  

作　　者：杨凯 徐石海 曾向潮 吕俊华 郭书好 李筱玲 

机构地区：[1]Department of Chemistry, Jinan University, Guangzhou 510632, China

出　　处：《Chinese Journal of Structural Chemistry》2004年第6期531-534,共4页结构化学（英文）

基　　金：the 863 National Foundation of China (No. 2001AA628100); National Natural Science Foundation of China (No. 20002001) and Natural Science Foundation of Guangdong Province (No .000720)

摘　　要：The title compound (C29H50O2, Mr = 430.69) was isolated from the algae Halimeda xishaensis collected from the South China Sea. Its crystal structure was determined by single-crystal X-ray diffraction for the first time. The crystal belongs to orthorhombic, space group P212121 with a = 8.1560(13), b = 10.7861(18), c = 29.973(5) ? V = 2636.8(8) 3, Z = 4, Dc = 1.085 g/cm3, F(000) = 960, (Mo-K? = 4.533 mm-1, ?= 0.71073 ? S = 1.061, (?max = 0.382 and (?min = 0.244 e/?. The structure was refined to R = 0.0561 and wR = 0.1553 for 2711 observed reflections with I > 2(I). X-ray diffraction analysis reveals that the title compound has two ?OH groups, and the side chain is saturated. There exist two intermolecular hydrogen bonds between three molecules.The title compound (C29H50O2, Mr = 430.69) was isolated from the algae Halimeda xishaensis collected from the South China Sea. Its crystal structure was determined by single-crystal X-ray diffraction for the first time. The crystal belongs to orthorhombic, space group P212121 with a = 8.1560(13), b = 10.7861(18), c = 29.973(5) ? V = 2636.8(8) 3, Z = 4, Dc = 1.085 g/cm3, F(000) = 960, (Mo-K? = 4.533 mm-1, ?= 0.71073 ? S = 1.061, (?max = 0.382 and (?min = 0.244 e/?. The structure was refined to R = 0.0561 and wR = 0.1553 for 2711 observed reflections with I > 2(I). X-ray diffraction analysis reveals that the title compound has two ?OH groups, and the side chain is saturated. There exist two intermolecular hydrogen bonds between three molecules.

关 键 词：ALGAE Halimeda xishaensis stigmast-4-ene-3 6-diol crystal structure 

分 类 号：Q949.2[生物学—植物学]