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3β,12β,14α-三羟基孕甾-20-酮

3β,12β,14α-Trihydroxy-pregnan-20-one.

作者信息

Shi Hefang, Li Yingxia

机构信息

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

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2009 Apr 25;65(Pt 5):o1102. doi: 10.1107/S1600536809013853.

Abstract

The title compound, C(21)H(34)O(4), is a steriod of the pregnane family prepared by the sequential oxidation and reduction of 3β,12β-diacet-oxy-20-ethyl-enedioxy-pregnan-14-ene. The con-formations of the six-membered rings are close to chair forms, while the five-membered ring adopts an envelope conformation. All the rings are trans-fused and an intra-molecular O-H⋯O hydrogen bond occurs. In the crystal structure, inter-molecular O-H⋯O hydrogen bonds link the mol-ecules into a two-dimensional network.

摘要

标题化合物C(21)H(34)O(4)是孕甾烷家族的一种甾体,由3β,12β-二乙酰氧基-20-亚乙基二氧基-孕甾-14-烯依次氧化和还原制备而成。六元环的构象接近椅式,而五元环采用信封式构象。所有环均为反式稠合,且存在分子内O-H⋯O氢键。在晶体结构中,分子间O-H⋯O氢键将分子连接成二维网络。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/bf5b/2977780/f494fbc016f0/e-65-o1102-fig1.jpg

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