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1-脱乙酰氧基-1-氧代凯撒明

1-Deacet-oxy-1-oxocaesalmin.

作者信息

Feng Juan, Zhang Jian-Long, Zhang Rong-Rong, Ruan Li-Jun, Jiang Ren-Wang

机构信息

Guangdong Province Key Laboratory of Pharmacodynamic Constituents of Traditional Chinese Medicine and New Drugs Research, Institute of Traditional Chinese Medicine and Natural Products, Jinan University, Guangzhou 510632, People's Republic of China.

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2014 May 17;70(Pt 6):o662. doi: 10.1107/S1600536814011040. eCollection 2014 Jun 1.

DOI:10.1107/S1600536814011040
PMID:24940245
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC4051044/
Abstract

The title compound, C24H30O7, is a diterpenoid isolated from the seeds of Caesalpinia minax. It consists of two cyclo-hexane rings (A and B), one unsaturated six-membered ring (C) and one furan ring (D). The stereochemistry of the ring junctures is A/B trans and B/C trans. Rings A and B have normal chair conformations while C adopts a twisted half-chair conformation due to fusion to the furan ring which is planar [r.m.s. deviation = 0.0009 (2) Å]. In the crystal, hydroxyl O-H⋯Ocarbon-yl hydrogen bonds link the mol-ecules into a chain structure extending along the a-axis direction.

摘要

标题化合物C24H30O7是从少花云实属植物的种子中分离得到的二萜类化合物。它由两个环己烷环(A和B)、一个不饱和六元环(C)和一个呋喃环(D)组成。环连接处的立体化学为A/B反式和B/C反式。环A和B具有正常的椅式构象,而环C由于与平面的呋喃环稠合而采用扭曲的半椅式构象[r.m.s.偏差 = 0.0009 (2) Å]。在晶体中,羟基O—H⋯O羰基氢键将分子连接成沿a轴方向延伸的链状结构。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/5578/4051044/005b79b07397/e-70-0o662-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/5578/4051044/2ddc06634952/e-70-0o662-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/5578/4051044/005b79b07397/e-70-0o662-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/5578/4051044/2ddc06634952/e-70-0o662-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/5578/4051044/005b79b07397/e-70-0o662-fig2.jpg

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本文引用的文献

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