(3R,5S,7R,8R,9S,10S,12S,13R,14S)-10,13-Dimethyl-17-[5-oxo-5-(prop-2-yn-1-yloxy)pentan-2-yl]hexadecahydro-1H-cyclopenta[a]phenanthrene-3,7,12-triyl triacetate

Abstract

In the title compound, C33H48O8, four terminal H atoms of cholic acid are replaced by three acetyl and one terminal alkyne group. All the acetyl residues are twisted with respect to the rings (A,BandC) to which they are attached. The cyclopentane ringDadopts an envelope conformation with the methyl-substituted C atom as the flap. RingsA,BandChave chair conformations. The dihedral angle between the mean planes of ringsCandDis 4.70 (11)°. In the crystal, molecules are linked by C—H...O hydrogen bonds, forming a three-dimensional structure.