(1 S,3 R)- N-{(3 S,10 S,12 S,13 R,17 R)-12-Hy-droxy-17-[(R)-5-hy-droxy-pentan-2-yl]-10,13-di-methyl-hexa-deca-hydro-1 H-cyclo-penta-[ a]phenanthren-3-yl}adamantane-1-carboxamide 0.25-hydrate

IUCrdata. 2022 Oct 11;7(Pt 10):x220947. doi: 10.1107/S2414314622009476. eCollection 2022 Oct.

Abstract

The title compound, C35H57NO3·0.25H2O, was synthesized from de-oxy-cholic acid followed by a protection, a Mitsonobu substitution, a Staudinger reduction, formation of an amide and final reduction in the lateral chain. The compound crystallizes in the P1 space group with four steroid mol-ecules and one water mol-ecule in the triclinic cell unit. The crystal structure features O-H⋯O hydrogen bonding. The crystal studied was refined as a non-merohedral twin.

Keywords: bile salts; biological activity; crystal structure.

Grants and funding

Funding for this research was provided by: Vicerrectoría de Investigación. Universidad de Costa Rica .