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从铁线蕨中分离得到的4-羟基-4,6a,6b,9,9,12a,14b-七甲基全氢苝-3-酮半水合物。

4-Hydroxy-4,6a,6b,9,9,12a,14b-heptamethylperhydropicen-3-one hemihydrate isolated from Adiantum incisum.

作者信息

Hussain Altaf, Siddiqui Hamid Latif, Zia-Ur-Rehman Muhammad, Elsegood Mark R J, M Khan Khalid

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2007 Dec 12;64(Pt 1):o264. doi: 10.1107/S1600536807064021.

DOI:10.1107/S1600536807064021
PMID:21200829
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC2915320/
Abstract

The title compound, C(29)H(48)O(2)·0.5H(2)O, is a triterpenoid isolated from the stems and rhizomes of Adiantum incisum. The basic skeleton of the mol-ecule contains five six-membered rings, all adopting chair conformations, bearing a total of seven methyl, one hydroxyl and a keto group. There are two mol-ecules of the triterpene and one water molecule of crystallization in the asymmetric unit. The two unique triterpenoid mol-ecules hydrogen-bond directly via an O-H⋯O=C inter-action, and are also bridged by the water mol-ecule. The water also bridges to another pair of hydrogen-bonded triterpenoid mol-ecules.

摘要

标题化合物C(29)H(48)O(2)·0.5H(2)O是从铁线蕨的茎和根状茎中分离得到的一种三萜类化合物。分子的基本骨架包含五个六元环，均呈椅式构象，共有七个甲基、一个羟基和一个酮基。不对称单元中有两个三萜分子和一个结晶水分子。两个独特的三萜分子通过O-H⋯O=C相互作用直接形成氢键，并且也由水分子桥连。该水分子还桥连至另一对通过氢键相连的三萜分子。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/4721/2915320/7a72c78b8b67/e-64-0o264-fig3.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/4721/2915320/56ba9335fc58/e-64-0o264-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/4721/2915320/4aff50fc9ee7/e-64-0o264-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/4721/2915320/7a72c78b8b67/e-64-0o264-fig3.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/4721/2915320/56ba9335fc58/e-64-0o264-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/4721/2915320/4aff50fc9ee7/e-64-0o264-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/4721/2915320/7a72c78b8b67/e-64-0o264-fig3.jpg

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