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12-苯胺甲基-9α-羟基-4,8-二甲基-3,14-二氧杂三环-[9.3.0.0]十四碳-7-烯-13-酮

12-Anilinomethyl-9α-hy-droxy-4,8-dimethyl-3,14-dioxatricyclo-[9.3.0.0]tetra-dec-7-en-13-one.

作者信息

Moumou Mohamed, Benharref Ahmed, Berraho Moha, Avignant Daniel, Oudahmane Abdelghani, Akssira Mohamed

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2011 Jun 1;67(Pt 6):o1388-9. doi: 10.1107/S1600536811015303. Epub 2011 May 11.

DOI:10.1107/S1600536811015303
PMID:21754777
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC3120288/
Abstract

The title compound, C(21)H(27)NO(4), was synthesized from 9α-hy-droxy-parthenolide, which was isolated from the chloro-form extract of the aerial parts of Anvillea radiata. The asymmetric unit contains two independent mol-ecules. In each, the ten-membered ring displays an approximative chair-chair conformation. Each of the five-membered rings adopts a flattened envelope conformation, the C(H)-C-C(H) atoms representing the flap lie out of the mean plane through the remaining four atoms by 0.443 (2) and 0.553 (2) Å. The dihedral angle between the least-squares planes through the ten- and five-membered rings in the two mol-ecules are similar [22.54 (17) and 23.39 (14)°]. In the crystal, mol-ecules are linked by O-H⋯O, O-H⋯N and N-H⋯O hydrogen bonds.

摘要

标题化合物C(21)H(27)NO(4)由从辐射银胶菊地上部分的氯仿提取物中分离得到的9α-羟基-小白菊内酯合成。不对称单元包含两个独立分子。在每个分子中,十元环呈现近似的椅-椅构象。每个五元环采用扁平的信封构象,代表瓣的C(H)-C-C(H)原子偏离通过其余四个原子的平均平面0.443(2)和0.553(2)Å。两个分子中通过十元环和五元环的最小二乘平面之间的二面角相似[22.54(17)和23.39(14)°]。在晶体中,分子通过O-H⋯O、O-H⋯N和N-H⋯O氢键相连。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/349e/3120288/ed6a5d1ed9c0/e-67-o1388-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/349e/3120288/ed6a5d1ed9c0/e-67-o1388-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/349e/3120288/ed6a5d1ed9c0/e-67-o1388-fig1.jpg

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