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3-表-达玛烷二醇 II 1.075 水合物:一种从优良米仔兰树皮中提取的达玛烷三萜。

3-epi-Dammarenediol II 1.075 hydrate: a dammarane triterpene from the bark of Aglaia eximia.

作者信息

Fun Hoong-Kun, Chantrapromma Suchada, Supriadin Asep, Harneti Desi, Supratman Unang

机构信息

X-ray Crystallography Unit, School of Physics, Universiti Sains Malaysia, 11800 USM, Penang, Malaysia ; Department of Pharmaceutical Chemistry, College of Pharmacy, King Saud University, PO Box 2457, Riyadh 11451, Saudi Arabia.

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2012 Nov 1;68(Pt 11):o3089-90. doi: 10.1107/S1600536812040366. Epub 2012 Oct 10.

Abstract

The title dammarane tritepene, 3α,20(S)-dihy-droxy-dammar-24-ene, which crystallized out in a hydrated form, C(30)H(52)O(2).1.075H(2)O, was isolated from the Aglaia eximia bark. The three cyclo-hexane rings adopt chair conformations. The cyclo-pentane has an envelope conformation with the quaternary C at position 14 as the flap atom with the maximum deviation of 0.288 (2) Å. The methyl-heptene side chain is disordered over two positions with 0.505 (1):0.495 (1) site occupancies and is axially attached with an (+)-syn-clinal conformation. The hydroxyl group at position 3 of dammarane is in a different conformation to the corresponding hydroxyl in Dammarenediol II. In the crystal, the dammarane and water mol-ecules are linked by O(Dammarane)-H⋯O(water) and O(water)-H⋯O(Dammarane) hydrogen bonds into a three-dimensional network.

摘要

从菲律宾米仔兰树皮中分离出标题化合物达玛烷三萜3α,20(S)-二羟基达玛-24-烯,它以水合形式C(30)H(52)O(2).1.075H(2)O结晶析出。三个环己烷环呈椅式构象。环戊烷具有信封式构象,14位的季碳原子作为瓣原子,最大偏差为0.288 (2) Å。甲基庚烯侧链在两个位置上无序排列,占有率分别为0.505 (1):0.495 (1),并以(+)-顺式构象轴向连接。达玛烷3位的羟基与达玛二烯二醇II中相应的羟基构象不同。在晶体中,达玛烷和水分子通过O(达玛烷)-H⋯O(水)和O(水)-H⋯O(达玛烷)氢键连接成三维网络。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/76c6/3515193/b4a8bdd3370d/e-68-o3089-fig1.jpg

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