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3α-Hydr-oxy-N-(3-hydroxy-prop-yl)-5β-cholan-24-amide.

Research paper by Arto A Valkonen, Juha J Koivukorpi, Manu M Lahtinen, Erkki E Kolehmainen

Indexed on: 01 Jan '09Published on: 01 Jan '09Published in: Acta Crystallographica Section E



Abstract

The title compound, C(27)H(47)NO(3), is a (3-hydroxy-prop-yl)amide derivative of naturally occurring enanti-opure lithocholic acid (3α-hydr-oxy-5β-cholan-24-oic acid). The mol-ecule contains four fused rings: three six-membered rings in chair conformations and one five-membered ring in a half-chair form. The two terminal six-membered rings are cis-fused, while other rings are trans-fused. The structure contains an intra-molecular O-H⋯O hydrogen bond and a similar hydrogen-bond framework to the corresponding deoxy-cholic and chenodeoxy-cholic acid derivatives. Inter-molecular O-H⋯O and N-H⋯O inter-actions are also present in the crystal. This compound seems to have at least two polymorphic forms from a comparison of the X-ray powder pattern simulated from the present structure of the title compound and that previously obtained for the powder sample.