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微苦配质的绝对构型

Absolute configuration of micromelin.

作者信息

Fun Hoong-Kun, Siridechakorn Ittipon, Laphookhieo Surat, Chantrapromma Suchada

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2011 Jul 1;67(Pt 7):o1706-7. doi: 10.1107/S1600536811022720. Epub 2011 Jun 18.

DOI:10.1107/S1600536811022720
PMID:21837101
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC3151812/
Abstract

The title compound {systematic name: 7-meth-oxy-6-[(1R,2R,5R)-5-methyl-4-oxo-3,6-dioxabicyclo-[3.1.0]hexan-2-yl]-2H-chromen-2-one}, C(15)H(12)O(6), is a coumarin, which was isolated from the roots of Micromelum glanduliferum. There are two mol-ecules in the asymmetric unit with slight differences in bond angles. In both mol-ecules, the furan ring adopts a flattened envelope conformation. In the crystal, mol-ecules are linked by weak C-H⋯O inter-actions into chains along the a axis. Aromatic π-π stacking inter-actions with centroid-centroid distances in the range 3.6995 (11)-3.8069 (11) Å and C⋯O short contacts [3.030 (2)-3.171 (3) Å] also occur.

摘要

标题化合物{系统名称:7-甲氧基-6-[(1R,2R,5R)-5-甲基-4-氧代-3,6-二氧杂双环-[3.1.0]己烷-2-基]-2H-色原酮-2-酮},C₁₅H₁₂O₆,是一种香豆素,从毛叶小芸木的根中分离得到。不对称单元中有两个分子,键角略有差异。在这两个分子中,呋喃环呈扁平信封构象。在晶体中,分子通过弱C-H⋯O相互作用沿a轴连接成链。还存在质心距离在3.6995 (11)-3.8069 (11) Å范围内的芳香π-π堆积相互作用以及C⋯O短接触[3.030 (2)-3.171 (3) Å]。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/7ae1/3151812/2ab4813300e8/e-67-o1706-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/7ae1/3151812/2ceb5e725661/e-67-o1706-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/7ae1/3151812/2ab4813300e8/e-67-o1706-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/7ae1/3151812/2ceb5e725661/e-67-o1706-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/7ae1/3151812/2ab4813300e8/e-67-o1706-fig2.jpg

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