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

ABSTRACT: The title dammarane tritepene, 3?,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.

SUBMITTER: Fun HK

PROVIDER: S-EPMC3515193 | biostudies-literature | 2012 Nov

REPOSITORIES: biostudies-literature

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

Fun Hoong-Kun HK Chantrapromma Suchada S Supriadin Asep A Harneti Desi D Supratman Unang U

Acta crystallographica. Section E, Structure reports online 20121010 Pt 11

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 at ...[more]

PMID: 23284420

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