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Published in

International Union of Crystallography, Acta Crystallographica Section E: Structure Reports Online, 11(68), p. o3089-o3090

DOI: 10.1107/s1600536812040366

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

This paper is made freely available by the publisher.
This paper is made freely available by the publisher.

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Abstract

The title dammarane tritepene, 3α,20(S)-dihy­droxy­dammar-24-ene, which crystallized out in a hydrated form, C30H52O2.1.075H2O, was isolated from the Aglaia eximia bark. The three cyclo­hexane rings adopt chair conformations. The cyclo­pentane 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 methyl­heptene 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 mol­ecules are linked by ODammarane—H⋯Owater and Owater—H⋯ODammarane hydrogen bonds into a three-dimensional network.