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3α-Hydr­oxy-N-(3-hydroxy­prop­yl)-5β-cholan-24-amide

The title compound, C(27)H(47)NO(3), is a (3-hydroxy­prop­yl)amide derivative of naturally occurring enanti­opure lithocholic acid (3α-hydr­oxy-5β-cholan-24-oic acid). The mol­ecule contains four fused rings: three six-membered rings in chair conformations and one five-membered ring in a half-chair...

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Detalles Bibliográficos
Autores principales: Valkonen, Arto, Koivukorpi, Juha, Lahtinen, Manu, Kolehmainen, Erkki
Formato: Texto
Lenguaje:English
Publicado: International Union of Crystallography 2009
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2968534/
https://www.ncbi.nlm.nih.gov/pubmed/21582298
http://dx.doi.org/10.1107/S1600536809006862
Descripción
Sumario:The title compound, C(27)H(47)NO(3), is a (3-hydroxy­prop­yl)amide derivative of naturally occurring enanti­opure lithocholic acid (3α-hydr­oxy-5β-cholan-24-oic acid). The mol­ecule 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 intra­molecular O—H⋯O hydrogen bond and a similar hydrogen-bond framework to the corresponding deoxy­cholic and chenodeoxy­cholic acid derivatives. Inter­molecular O—H⋯O and N—H⋯O inter­actions 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.