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3α,4α-Ep-oxy-5α-androstan-17β-yl acetate.

ABSTRACT: The title compound, C(21)H(32)O(3), results from modifications of the A and D rings of the aromatase substrate androstenedione. Ring A adopts a conformation between 10β-sofa and 1α,10β half-chair. Rings B and C are in slightly flattened chair conformations. Ring D approaches a 13β-envelope conformation, probably due to the acet-oxy substituent, and shows a very short Csp(3)-Csp(3) bond next to the epoxide ring, which is characteristic of 3-4 epoxides. .

SUBMITTER: Andrade LC

PROVIDER: S-EPMC2968911 | biostudies-literature | 2009 Mar

REPOSITORIES: biostudies-literature

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3α,4α-Ep-oxy-5α-androstan-17β-yl acetate.

Andrade L C R LC Paixão J A JA de Almeida M J M MJ Fernandes Roleira F M FM Tavares da Silva E J EJ

Acta crystallographica. Section E, Structure reports online 20090325 Pt 4

The title compound, C(21)H(32)O(3), results from modifications of the A and D rings of the aromatase substrate androstenedione. Ring A adopts a conformation between 10β-sofa and 1α,10β half-chair. Rings B and C are in slightly flattened chair conformations. Ring D approaches a 13β-envelope conformation, probably due to the acet-oxy substituent, and shows a very short Csp(3)-Csp(3) bond next to the epoxide ring, which is characteristic of 3-4 epoxides. . ...[more]

PMID: 21582535

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