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

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.

SUBMITTER: Zhong JL

PROVIDER: S-EPMC3770440 | biostudies-literature | 2013

REPOSITORIES: biostudies-literature

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

Zhong Jia-Liang JL Sun Wen-Xia WX Zhang Fu-Li FL Liu Li-Hong LH Liu He H

Acta crystallographica. Section E, Structure reports online 20130629 Pt 7

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 nei ...[more]

PMID: 24046725

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