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(22E,24R)-3β,5α,9α-三羟基-麦角甾-7,22-二烯-6-酮一水合物

(22E,24R)-3β,5α,9α-Trihy-droxy-ergosta-7,22-dien-6-one monohydrate.

作者信息

Xu Zhi-Hong, Peng Xiao-Ping, Wang Yi, Zhu Wei-Ming

机构信息

Key Laboratory of Marine Drugs of the Ministry of Education of China, School of Medicine and Pharmacy, Ocean University of China, 266003 Qingdao, People's Republic of China.

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2011 May 1;67(Pt 5):o1141-2. doi: 10.1107/S160053681101347X. Epub 2011 Apr 16.

Abstract

The title ergosterol compound, C(28)H(44)O(4)·H(2)O, is composed of four fused rings (three six-membered and one five-membered) and a side chain. It is a derivative of ergosterol and was isolated from a marine-derived halotolerant fungus, Cladosporium cladosporioides PXP-49. In the crystal, mol-ecules are assembled by classical O-H⋯O hydrogen bonds, forming a two-dimensional network, with base vectors [100] and [010]. The absolute configuration was assigned from the measured optical rotation and reference to the literature. An intra-molecular O-H⋯O hydrogen bond occurs.

摘要

标题化合物麦角甾醇,化学式为C(28)H(44)O(4)·H(2)O,由四个稠合环(三个六元环和一个五元环)及一个侧链组成。它是麦角甾醇的衍生物,从海洋来源的耐盐真菌枝孢霉Cladosporium cladosporioides PXP - 49中分离得到。在晶体中,分子通过经典的O - H⋯O氢键组装,形成一个二维网络,其基矢为[100]和[010]。绝对构型通过测量的旋光性并参考文献确定。分子内存在O - H⋯O氢键。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/0d83/3089332/469d82df25ba/e-67-o1141-fig1.jpg

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