Acta Cryst. (2012). E68, o3089-o3090
[ doi:10.1107/S1600536812040366 ]

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

H.-K. Fun, S. Chantrapromma, A. Supriadin, D. Harneti and U. Supratman

Abstract: The title dammarane tritepene, 3,20(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 O_Dammarane-HO_water and O_water-HO_Dammarane hydrogen bonds into a three-dimensional network.

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