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21-Hy-droxy-pregna-1,4-diene-3,20-dione.

ABSTRACT: The title compound, C(21)H(28)O(3), is a fungal transformed metabolite of decoxycorticosterone acetate, consisting of four fused rings A, B, C and D. Ring A is nearly planar, with a maximum deviation of 0.010?(3)?Å from the least-squares plane, while the trans-fused rings B and C adopt chair conformations. The five-membered ring D is in an envelope conformation. The orientation of the side chain is stabilized by an intramolecular O-H?O hydrogen bond. In the crystal, adjecent mol-ecules are linked by C-H?O hydrogen bonds into extended zigzag chains along the a axis.

SUBMITTER: Yousuf S

PROVIDER: S-EPMC3213563 | biostudies-literature | 2011 Aug

REPOSITORIES: biostudies-literature

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21-Hy-droxy-pregna-1,4-diene-3,20-dione.

Yousuf S S Bibi M M Choudhary M I MI

Acta crystallographica. Section E, Structure reports online 20110723 Pt 8

The title compound, C(21)H(28)O(3), is a fungal transformed metabolite of decoxycorticosterone acetate, consisting of four fused rings A, B, C and D. Ring A is nearly planar, with a maximum deviation of 0.010 (3) Å from the least-squares plane, while the trans-fused rings B and C adopt chair conformations. The five-membered ring D is in an envelope conformation. The orientation of the side chain is stabilized by an intramolecular O-H⋯O hydrogen bond. In the crystal, adjecent mol-ecules are linke ...[more]

PMID: 22091140

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