3,17‐Dioxoandrost‐4‐en‐4‐yl acetate |
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Authors: | L. C. R. Andrade,M. J. M. de Almeida,J. A. Paixã o,F. M. Fernandes Roleira,E. J. Tavares da Silva |
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Abstract: | The title compound, C21H28O4, has a 4‐acetoxy substituent positioned on the steroid α face. The six‐membered ring A assumes a conformation intermediate between 1α,2β‐half chair and 1α‐sofa. A long Csp3—Csp3 bond is observed in ring B and reproduced in quantum‐mechanical ab initio calculations of the isolated molecule using a molecular‐orbital Hartree–Fock method. Cohesion of the crystal can be attributed to van der Waals interactions and weak C—H...O hydrogen bonds. |
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