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

Khalijah Awang; Mahfizah Yusoff; Khalit Mohamad; Soo Lim Chong; Seik Weng Ng

doi:10.1107/S1600536809015086

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

Acta Crystallogr Sect E Struct Rep Online. 2009 Apr 30;65(Pt 5):o1166. doi: 10.1107/S1600536809015086.

Authors

Khalijah Awang¹, Mahfizah Yusoff, Khalit Mohamad, Soo Lim Chong, Seik Weng Ng

Affiliation

¹ Department of Chemistry, University of Malaya, 50603 Kuala Lumpur, Malaysia.

Abstract

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 mol-ecules in the asymmetric unit of the title compound. The three six-membered cyclo-hexane rings in each mol-ecule adopt chair conformations and the carboxyl substituent occupies an axial/equatorial position. The two independent mol-ecules are linked by a pair of O-H(carbox-yl)⋯O hydrogen bonds into a dimer. The n-hexane mol-ecule is disordered about a twofold rotation axis and the water mol-ecule lies on a twofold rotation axis. In addition, the cyclo-hexone carbonyl group of one of the independent mol-ecules is disordered over two sites with occupancies of 0.75 and 0.25.