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Acta Crystallogr Sect E Struct Rep Online. 2013 Jun 29;69(Pt 7):o1186. doi: 10.1107/S160053681301725X. eCollection 2013.

Methyl 3-[(chloro-meth-oxy)carbon-yloxy]-7-hy-droxy-cholan-24-oate.

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  • 1Shanghai Institute of Pharmaceutical Industry, Shanghai 200040, People's Republic of China.

Abstract

The title compound, C27H43ClO6, is a derivative of urso-deoxy-cholic acid, in which the OH group at the 3-position is substituted by a chloro-meth-oxy-carbon-yloxy substituent and the carb-oxy-lic acid group at the 24-position is methyl-ated. The A and B rings are cis-fused, while all other rings are trans-fused. In the crystal, two adjacent mol-ecules located along the b-axis direction are inter-locked head-to-tail due to weak C-H⋯O hydrogen bonds. Therefore each mol-ecule is linked to four neighbouring mol-ecules by four C-H⋯O hydrogen bonds, with the OH group at the 7-position and the carbonyl O atom of the ester group acting as the acceptor sites.

PMID:
24046725
[PubMed]
PMCID:
PMC3770440
Free PMC Article
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