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N-tert-Butyl-3-hydr­oxy-5-androstene-17-carboxamide monohydrate

In the title compound, C(24)H(39)NO(2)·H(2)O, the A and C rings of the pregnolene derivative sterol adopt chair conformations, with the B ring in a flattened chair conformation and the five-membered ring in an envelope conformation twisted about the C/D ring junction. The N-tert-butyl­carboxamide su...

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Detalles Bibliográficos
Autores principales: Li, Jiang-Sheng, Simpson, Jim, Li, Xiao-Jun, Li, Xun, Huang, Peng-Mian
Formato: Texto
Lenguaje:English
Publicado: International Union of Crystallography 2009
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2969220/
https://www.ncbi.nlm.nih.gov/pubmed/21582804
http://dx.doi.org/10.1107/S1600536809020984
Descripción
Sumario:In the title compound, C(24)H(39)NO(2)·H(2)O, the A and C rings of the pregnolene derivative sterol adopt chair conformations, with the B ring in a flattened chair conformation and the five-membered ring in an envelope conformation twisted about the C/D ring junction. The N-tert-butyl­carboxamide substituent is equatorial. The 3β-hydr­oxy H atom and one H atom of the water mol­ecule are disordered over two positions with equal occupancies. In the crystal structure, O—H⋯O hydrogen bonds between the 3β-hydr­oxy groups of neighbouring mol­ecules form dimers in the bc plane and these dimers are stacked along the a axis by additional O—H⋯O hydrogen bonds involving the water mol­ecules. The steric effect of the bulky tert-butyl substituent in the carboxamide chain precludes hydrogen-bond formation by the N—H group.