Acta Crystallographica Section E

Structure Reports Online

Volume 68, Part 9 (September 2012)

organic compounds

Acta Cryst. (2012). E68, o2712-o2713    [ doi:10.1107/S1600536812034976 ]

(20S)-Dammar-24-ene-3[beta],20-diol monohydrate from the bark of Aglaia exima (Meliaceae)

A. Safariari, A. Supriadin, U. Supratman, K. Awang and S. W. Ng

Abstract: In the title compound {systematic name: (1R,2R,5R,7R,10R,11R,14S,15R)-14-[(2S)-2-hy­droxy-6-methyl­hept-5-en-2-yl]-2,6,6,10,11-penta­methyl­tetra­cyclo­[,7.011,15]hepta­decan-5-ol monohydrate}, C30H52O2·H2O, the three fused cyclo­hexane rings adopt chair conformations and the hy­droxy substituent of one of these occupies an axial position. The fused cyclo­pentane ring adopts an envelope conformation (with the flap atom being the C atom bearing the methyl group) and the 3-methyl­but-2-enyl portion of its substituent is disordered over three sets of sites in a 0.413 (7):0.250 (7):0.337 (7) ratio. The O atoms of both water mol­ecules occupy special positions of 2 site symmetry. In the crystal, Os-H...Ow and Ow-H...Os (s = steroid and w = water) hydrogen bonds link hy­droxy groups and water mol­ecules, forming a three-dimensional network. The crystal studied was found to be a non-merohedral twin with a 0.518 (1):0.482 (1) component ratio.

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