Structure of pregna-4,16-diene-7α,14α-diol-3,20-dione

Abstract

7α,14α-Dihydroxypregna-4,16-diene-3,20- dione, C₂₁H₂₈O₄, M_r = 344.45, orthorhombic, P2₁2₁2₁, a = 7.136 (1), b = 12.342 (1), c = 20.049 (3)Å, V= 1765.7 (3)ų, Z = 4, D_x = 1.295 g cm^-3, λ(Cu Kα) = 1.5418Å, μ = 6.7 cm^-1, F(000) = 744, T = 293 K, R = 0.048 for 1345 observations. The A ring may be described as in a l α,2β- half-chair conformation or a l α-sofa conformation. The B and C rings adopt normal chair conformations and the D ring has a 14α-envelope conformation. The molecules are held together by a hydrogen bond [O(3)...O(7)= 2.767 Å].