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(1R,4S,8R,9R,12S,13S,14R,16S,17R,19R)-17-[(乙硫基)甲基]-9,14-二羟基-7,7-二甲基-2,18-二氧代-3,10-二氧杂五环[14.2.1.0.0.0]十九烷-19-基乙酸酯丙酮溶剂化物

(1R,4S,8R,9R,12S,13S,14R,16S,17R,19R)-17-[(Ethyl-sulfan-yl)meth-yl]-9,14-di-hydroxy-7,7-dimethyl-2,18-dioxo-3,10-dioxapenta-cyclo[14.2.1.0.0.0]nona-decan-19-yl acetate acetone solvate.

作者信息

Shi Hao, Sun Hong Xiang

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2008 Dec 24;65(Pt 1):o202. doi: 10.1107/S1600536808043341.

Abstract

The title compound, C(24)H(32)O(8)S·C(3)H(6)O, features three six-membered and two five-membered rings. The six-membered rings adopt chair, boat and slightly distorted boat conformations whereas one five-membered ring adopts an approximate envelope conformation and the other a twist conformation. Disorder was modelled for the ethyl-thio group with the ethyl-C atoms resolved over three positions with occupancies of 0.58 (4), 0.23 (4) and 0.19 (3). In the crystal, an O-H⋯O hydrogen bond links the molecules into chains.

摘要

标题化合物C(24)H(32)O(8)S·C(3)H(6)O具有三个六元环和两个五元环。六元环呈现椅式、船式和轻微扭曲的船式构象,而一个五元环采用近似信封式构象,另一个采用扭转构象。乙硫基存在无序,乙基碳原子在三个位置解析,占有率分别为0.58 (4)、0.23 (4)和0.19 (3)。在晶体中,O—H⋯O氢键将分子连接成链。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/6b25/2968108/de3ce5604daf/e-65-0o202-fig1.jpg

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