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

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[8.7.0.0(2,7).0(11,15)]hepta­decan-5-ol monohydrate}, C(30)H(52)O(2)·H(2)O, the three fused cyclo­hexane rings adopt chair conformations and the hy­...

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Detalles Bibliográficos
Autores principales: Safariari, Agus, Supriadin, Asep, Supratman, Unang, Awang, Khalijah, Ng, Seik Weng
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2012
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3435729/
https://www.ncbi.nlm.nih.gov/pubmed/22969600
http://dx.doi.org/10.1107/S1600536812034976
Descripción
Sumario: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[8.7.0.0(2,7).0(11,15)]hepta­decan-5-ol monohydrate}, C(30)H(52)O(2)·H(2)O, 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, O(s)—H⋯O(w) and O(w)—H⋯O(s) (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.