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16-[3-Methoxy-4-(2-piperidin-1-ylethoxy)benzylidene]-17-oxoandrost-5-en-3beta-yl acetate monohydrate.

作者信息

Thamotharan S, Parthasarathi V, Gupta Ranju, Guleria Sheetal, Jindal D P, Linden Anthony

机构信息

Department of Physics, Bharathidasan University, Tiruchirappalli 620 024, India.

出版信息

Acta Crystallogr C. 2002 Dec;58(Pt 12):o727-9. doi: 10.1107/s010827010202005x. Epub 2002 Nov 26.

Abstract

The title compound, C(36)H(49)NO(5).H(2)O, has the outer two six-membered rings of the steroid nucleus in chair conformations. The central ring B of the steroid nucleus is in an 8beta,9alpha-half-chair conformation, while ring D of the steroid adopts a slightly distorted 13beta,14alpha-half-chair conformation. The piperidine ring is in a chair conformation. The methoxybenzylidene moiety has an E configuration with respect to the carbonyl group at position 17. Intermolecular O-H.O and O-H.N hydrogen bonds link the steroid and water molecules into chains which run parallel to the b axis.

摘要

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