17‐Oxo‐5α‐androst‐6‐en‐3β‐yl acetate |
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Authors: | J. I. F. Paixã o,J. A. R. Salvador,J. A. Paixã o,A. Matos Beja,M. Ramos Silva,A. M. d'A. Rocha Gonsalves |
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Abstract: | In the title compound, C21H30O3, a potential inhibitor of aromatase, all rings are fused trans. Rings A and C have chair conformations which are slightly flattened, whereas the conformation of ring B is close to a half‐chair. Ring D has a 14α‐envelope conformation. The steroid nucleus has a small twist, as shown by the C19—C10⋯C13—C18 (steroid numbering) torsion angle of −6.9 (3)°. Ab initio calculations of the equilibrium geometry of the molecule reproduce this small twist, which appears to be due to the conformation of ring B rather than to packing effects. |
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