(1S,3R)-N-{(3S,10S,12S,13R,17R)-12-Hydroxy-17-[(R)-5-hydroxypentan-2-yl]-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-3-yl}adamantane-1-carboxamide 0.25-hydrate

Abstract

The title compound, C35H57NO3·0.25H2O, was synthesized from deoxycholic 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 molecules and one water molecule 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

• crystal structure
• biological activity
• bile salts