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4β-羟基-12,13-环氧-单端孢霉烯-9-烯

4β-Hy-droxy-12,13-ep-oxy-trichothec-9-ene.

作者信息

Mao Bi-Zeng, Huang Chao, Chen Yu-Zhe, Lv Zhen-Er, Chen Shao-Yuan

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2012 Apr 1;68(Pt 4):o1195. doi: 10.1107/S1600536812012408. Epub 2012 Mar 28.

Abstract

The asymmetric unit in the crystal of the title compound, C(15)H(22)O(3), contains two independent mol-ecules with similar structures. Each mol-ecule contains two six-membered rings and one five-membered ring. The five-membered ring displays an envelope conformation with the C atom linking the epoxy group as the flap, while the two six-membered rings show half-chair conformations. The two independent mol-ecules are linked by an O-H⋯O hydrogen bond. These dimers are further linked by O-H⋯O hydrogen bonds, forming supra-molecular chains running along the a axis.

摘要

标题化合物C(15)H(22)O(3)晶体中的不对称单元包含两个结构相似的独立分子。每个分子包含两个六元环和一个五元环。五元环呈信封构象,连接环氧基团的C原子为折叶,而两个六元环呈半椅式构象。两个独立分子通过O—H⋯O氢键相连。这些二聚体通过O—H⋯O氢键进一步相连,形成沿a轴延伸的超分子链。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/644b/3344132/42259a663627/e-68-o1195-fig1.jpg

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