Yousuf Sammer, Bano Saira, Choudhary M Iqbal
Acta Crystallogr Sect E Struct Rep Online. 2012 Jul 1;68(Pt 7):o2006. doi: 10.1107/S1600536812017631. Epub 2012 Jun 13.
The title compound, C(24)H(34)O(5), a fungal-transformed metabolite of the injecta-ble contraceptive medroxyprogesterone acetate, consists of four fused rings (A, B, C and D; steroid labelling). Ring A exists in a half-chair conformation while trans-fused rings B and C adopt chair conformations. The five-membered ring D adopts an envelope conformation with the C atom bound to the methyl group at the flap. In the crystal, adjacent mol-ecules are linked by O-H⋯O and C-H⋯O hydrogen bonds, forming infinite chains along the a axis.
标题化合物C(24)H(34)O(5)是可注射避孕药醋酸甲羟孕酮的一种真菌转化代谢产物,由四个稠合环(A、B、C和D;甾体编号)组成。环A呈半椅式构象,而反式稠合的环B和C呈椅式构象。五元环D呈信封式构象,其中C原子在折边处与甲基相连。在晶体中,相邻分子通过O-H⋯O和C-H⋯O氢键相连,沿a轴形成无限长链。