Crystal structure of betulinic acid methanol monosolvate.

IF 0.9 Acta crystallographica. Section E, Structure reports online Pub Date : 2014-11-08 eCollection Date: 2014-12-01 DOI:10.1107/S1600536814023848
Wei Tang, Neng-Hua Chen, Guo-Qiang Li, Guo-Cai Wang, Yao-Lan Li
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引用次数: 6

Abstract

The title compound [systematic name: 3β-hy-droxy-lup-20(29)-en-28-oic acid methanol monosolvate], C30H48O3·CH3OH, is a solvent pseudopolymorph of a naturally occurring plant-derived lupane-type penta-cyclic triterpenoid, which was isolated from the traditional Chinese medicinal plant Syzygium jambos (L.) Alston. The dihedral angle between the planes of the carb-oxy-lic acid group and the olefinic group is 12.17 (18)°. The A/B, B/C, C/D and D/E ring junctions are all trans-fused. In the crystal, O-H⋯O hydrogen bonds involving the hy-droxy and carb-oxy-lic acid groups and the methanol solvent mol-ecule give rise to a two-dimensional network structure lying parallel to (001).

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白桦酸甲醇单溶剂化物的晶体结构。
标题化合物[系统名称:3β-羟基-羟基-20(29)-烯-28-羟基酸甲醇单溶剂化物]C30H48O3·CH3OH是天然存在的植物来源的豆烷型五环三萜的溶剂伪多构象,该化合物从传统药用植物三叶草(L.)中分离得到。阿尔斯通。碳氧基与烯烃基平面之间的二面角为12.17(18)°。A/B、B/C、C/D和D/E环形接点均为输血。在晶体中,O- h⋯O氢键涉及羟基和碳氧酸基团以及甲醇溶剂分子,产生平行于(001)的二维网络结构。
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来源期刊
自引率
33.30%
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审稿时长
1.3 months
期刊介绍: Acta Crystallographica Section E: Structure Reports Online is the IUCr highly popular open-access structural journal. It provides a simple and easily accessible publication mechanism for the growing number of inorganic, metal-organic and organic crystal structure determinations. The electronic submission, validation, refereeing and publication facilities of the journal ensure very rapid and high-quality publication, whilst key indicators and validation reports provide measures of structural reliability. In 2009, the journal published over 4000 structures. The average publication time is less than one month.
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