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12α-羟基-3,27-二氧代齐墩果烷-28,13-内酯

12α-Hy-droxy-3,27-dioxooleanano-28,13-lactone.

作者信息

Hu Jun-Yi, Wu Gang-Gang, Xu Ying-Qian, Xiao Guo-Yong, Lei Peng

机构信息

Center of Separation Technology, School of Chemical Engineering, University of Science and Technology Liaoning, Anshan 114051, People's Republic of China.

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2012 Jun 1;68(Pt 6):o1586. doi: 10.1107/S1600536812017783. Epub 2012 May 2.

DOI:10.1107/S1600536812017783
PMID:22719397
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC3379199/
Abstract

There are two independent mol-ecules in the asymmetric unit of the title compound, C(30)H(44)O(5). They comprise a triterpenoid skeleton of five six-membered rings and a five-membered lactone ring. The five six-membered rings are all trans-fused. In both independent mol-ecules the D rings adopt a slightly distorted half-chair conformation due the presence of the lactone ring while the other four six-membered rings all adopt chair conformations. The characteristic carbon-carbon double bond of the oleanoic skeleton is absent. Inter-molecular O-H⋯O hydrogen bonds between the hy-droxy and carbonyl groups occur in the crystal structure.

摘要

标题化合物C(30)H(44)O(5)的不对称单元中有两个独立分子。它们由一个包含五个六元环和一个五元内酯环的三萜骨架组成。五个六元环均为反式稠合。在两个独立分子中,由于内酯环的存在,D环采用略微扭曲的半椅构象,而其他四个六元环均采用椅式构象。齐墩果烷骨架的特征碳 - 碳双键不存在。晶体结构中存在羟基和羰基之间的分子间O - H⋯O氢键。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/b588/3379199/ac04dbfc2e12/e-68-o1586-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/b588/3379199/ac04dbfc2e12/e-68-o1586-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/b588/3379199/ac04dbfc2e12/e-68-o1586-fig1.jpg

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