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3-Oxoolean-1-en-28-oic acid–n-hexa­ne–water (4/1/1) from the bark of Walsura pinnata Hassk

3-Oxoolean-1-en-28-oic acid, isolated from the bark of Walsura pinnata Hassk, crystallized from n-hexane as an n-hexane 0.25-solvent 0.25-hydrate, C(30)H(46)O(3)·0.25C(6)H(14)·0.25H(2)O. There are two independent mol­ecules in the asymmetric unit of the title compound. The three six-membered cyclo­h...

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Detalles Bibliográficos
Autores principales: Awang, Khalijah, Yusoff, Mahfizah, Mohamad, Khalit, Chong, Soo Lim, Ng, Seik Weng
Formato: Texto
Lenguaje:English
Publicado: International Union of Crystallography 2009
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2977831/
https://www.ncbi.nlm.nih.gov/pubmed/21583968
http://dx.doi.org/10.1107/S1600536809015086
Descripción
Sumario:3-Oxoolean-1-en-28-oic acid, isolated from the bark of Walsura pinnata Hassk, crystallized from n-hexane as an n-hexane 0.25-solvent 0.25-hydrate, C(30)H(46)O(3)·0.25C(6)H(14)·0.25H(2)O. There are two independent mol­ecules in the asymmetric unit of the title compound. The three six-membered cyclo­hexane rings in each mol­ecule adopt chair conformations and the carboxyl substituent occupies an axial/equatorial position. The two independent mol­ecules are linked by a pair of O—H(carbox­yl)⋯O hydrogen bonds into a dimer. The n-hexane mol­ecule is disordered about a twofold rotation axis and the water mol­ecule lies on a twofold rotation axis. In addition, the cyclo­hexone carbonyl group of one of the independent mol­ecules is disordered over two sites with occupancies of 0.75 and 0.25.