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5-{[(3R,5aS,6R,8aS,9R,10S,12R,12aR)-3,6,9-三甲基-全氢-3,12-环氧-1,2-二氧杂环庚并[4,3-i]异苯并呋喃-10-基]氧甲基}苯-1,3-二醇

5-{[(3R,5aS,6R,8aS,9R,10S,12R,12aR)-3,6,9-Trimethyl-perhydro-3,12-ep-oxy-1,2-dioxepino[4,3-i]isochromen-10-yl]oxymeth-yl}benzene-1,3-diol.

作者信息

Gul Waseem, Carvalho Paulo, Galal Ahmed, Avery Mitchell A, El Sohly Mahmoud A

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2009 Jan 23;65(Pt 2):o358-9. doi: 10.1107/S1600536809002050.

DOI:10.1107/S1600536809002050
PMID:21581957
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC2968296/
Abstract

The title compound, C(22)H(30)O(7), is a fused five-ring system that is of inter-est for its anti-cancer and anti-malarial activity. The six-membered C(6) and C(5)O rings display chair conformations. The six-membered C(3)O(3) ring containing the ether and per-oxy functionalities has a distorted boat conformation, with a C-O-O-C torsion angle of 42.6 (1)° for the per-oxy group. The seven-membered C(6)O ring has a distorted boat-type conformation, while the seven-membered C(5)O(2) ring has a very distorted chair-type conformation. The structure contains inter-molecular O-H⋯O and O-H⋯(O,O) bonds that link the mol-ecules into sheets parallel to the (100) planes.

摘要

标题化合物C(22)H(30)O(7)是一个稠合的五环体系，因其抗癌和抗疟疾活性而备受关注。六元C(6)环和C(5)O环呈椅式构象。含有醚和过氧官能团的六元C(3)O(3)环具有扭曲的船式构象，过氧基团的C-O-O-C扭转角为42.6 (1)°。七元C(6)O环具有扭曲的船式构象，而七元C(5)O(2)环具有非常扭曲的椅式构象。该结构包含分子间O-H⋯O和O-H⋯(O,O)键，这些键将分子连接成平行于(100)平面的片层。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/48eb/2968296/fc1068f64fd0/e-65-0o358-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/48eb/2968296/fc1068f64fd0/e-65-0o358-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/48eb/2968296/fc1068f64fd0/e-65-0o358-fig1.jpg

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