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10α-羟基-4,9-二甲基-13-[(4-苯基哌嗪-1-基)甲基]-3,8,15-三氧杂四环-[10.3.0.0.0]十四烷-14-酮

10α-Hy-droxy-4,9-dimethyl-13-[(4-phenyl-piperazin-1-yl)meth-yl]-3,8,15-trioxatetra-cyclo-[10.3.0.0.0]tetra-decan-14-one.

作者信息

Moumou Mohamed, Benharref Ahmed, Oudahmane Abdelghani, Elhakmaoui Ahmed, Berraho Moha

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2011 Nov;67(Pt 11):o2981-2. doi: 10.1107/S1600536811042012. Epub 2011 Oct 22.

DOI:10.1107/S1600536811042012
PMID:22220002
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC3247384/
Abstract

The title compound, C(25)H(34)N(2)O(5), was synthesized from 9α-hy-droxy-parthenolide (9α-hy-droxy-4,8-dimethyl-12-methyl-ene-3,14-dioxatricyclo-[9.3.0.0(2,4)]tetra-dec-7-en-13-one), which was isolated from the chloro-form extract of the aerial parts of Anvillea radiata. The mol-ecule contains a fused five- and ten-membered ring system. The ten-membered ring adopts an approximate chair-chair conformation, while the five-membered ring is in an envelope conformation, with the C atom closest to the hy-droxy group forming the flap. The piperazine ring is in a chair conformation. In the crystal, O-H⋯O hydrogen bonds connect mol-ecules into chains along [100]. Weak inter-molecular C-H⋯O hydrogen bonds are also present.

摘要

标题化合物C(25)H(34)N(2)O(5)由9α-羟基-小白菊内酯(9α-羟基-4,8-二甲基-12-亚甲基-3,14-二氧杂三环-[9.3.0.0(2,4)]十四碳-7-烯-13-酮)合成,9α-羟基-小白菊内酯从辐射安维尔菊地上部分的氯仿提取物中分离得到。该分子包含一个稠合的五元环和十元环体系。十元环采取近似椅式-椅式构象,而五元环呈信封式构象,与羟基最接近的C原子形成翼片。哌嗪环呈椅式构象。在晶体中,O-H⋯O氢键沿[100]方向将分子连接成链。还存在弱的分子间C-H⋯O氢键。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/864f/3247384/46c6e5a9161a/e-67-o2981-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/864f/3247384/d3fb43cd028f/e-67-o2981-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/864f/3247384/46c6e5a9161a/e-67-o2981-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/864f/3247384/d3fb43cd028f/e-67-o2981-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/864f/3247384/46c6e5a9161a/e-67-o2981-fig2.jpg

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