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白鲜酮

Fraxinellone.

作者信息

Gu Hong-Mei, Xu Hao, Zhong Zhao-Zhao, Zhu Hai-Liang, Li Qing-Shan

机构信息

Jiangsu Chiatai Tianqing Pharmaceutical Co. Ltd, Nanjing 210042, People's Repulic of China, and, State Key Laboratory of Pharmaceutical Biotechnology, Nanjing University, Nanjing 210093, People's Republic of China.

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2011 Jun 1;67(Pt 6):o1472. doi: 10.1107/S1600536811018393. Epub 2011 May 20.

Abstract

In the title compound, C(14)H(16)O(3) [systematic name: (3R*,3aR*)-3-(3-furan-yl)-3a,7-dimethyl-3a,4,5,6-tetra-hydro-2-benzofuran-1(3H)-one], the pendant methyl and furan groups attached to the stereogenic centres lie to the same side of the fused ring system. The dihedral angle between the five-membered rings is 74.8 (2)°; the fused five-membered ring adopts a twisted conformation. In the crystal, mol-ecules are linked by weak C-H⋯O inter-actions, which generate [100] chains.

摘要

在标题化合物C(14)H(16)O(3) [系统名称:(3R*,3aR*)-3-(3-呋喃基)-3a,7-二甲基-3a,4,5,6-四氢-2-苯并呋喃-1(3H)-酮]中,连接到立体中心的悬垂甲基和呋喃基团位于稠环体系的同一侧。五元环之间的二面角为74.8 (2)°;稠合的五元环采用扭曲构象。在晶体中,分子通过弱C-H⋯O相互作用连接,形成[100]链。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/6731/3120588/4075b683139d/e-67-o1472-fig1.jpg

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