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HERO ID
7673256
Reference Type
Journal Article
Title
3-epi-Dammarenediol II 1.075 hydrate: a dammarane triterpene from the bark of Aglaia eximia
Author(s)
Fun, HK; Chantrapromma, S; Supriadin, A; Harneti, D; Supratman, U
Year
2012
Is Peer Reviewed?
Yes
Journal
Acta Crystallographica. Section E: Structure Reports Online
ISSN:
1600-5368
Volume
68
Issue
Pt 11
Page Numbers
o3089-o3090
Language
English
PMID
23284420
DOI
10.1107/S1600536812040366
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.
Keywords
data-to-parameter ratio = 13.7; disorder in main residue; mean ̄(C-C) = 0.003 Å; R factor = 0.058; single-crystal X-ray study; T = 100 K; wR factor = 0.162
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