17α-acetoxy-17β-methyl-16β-phenyl-D-homo-4,6-pregnadiene-3, 17a-dione: Synthesis and crystal structure determination of a new rearranged pregnane derivative

Article abstract of DOI:10.1023/A:1021729007943

The title compound is C₂₉H₃₄O₄, tetragonal, P4₃, a = b = 10.310(1), c = 23.871(2)A. The A, B, C, and D rings adopt envelope, half-chair, chair, and distorted chair conformations, respectively. The phenyl ring is planar. The methyl substituents at the A/B, C/D, and at C(17) are axial; and the -OCOCH₃ group at C(17) and phenyl ring at C(16) are equatorial. The molecules in the crystal are held together by van der Waals forces and several C - H···O hydrogen bond interactions.