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17?-Acet-oxy-11?-hy-droxy-6?-methyl-pregn-4-ene-3,20-dione.

ABSTRACT: 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.

SUBMITTER: Yousuf S 

PROVIDER: S-EPMC3393278 | biostudies-other | 2012 Jul

REPOSITORIES: biostudies-other

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17α-Acet-oxy-11β-hy-droxy-6α-methyl-pregn-4-ene-3,20-dione.

Yousuf Sammer S   Bano Saira S   Choudhary M Iqbal MI  

Acta crystallographica. Section E, Structure reports online 20120613 Pt 7

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 i  ...[more]

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