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De­acetyl­cinobufalactam monohydrate

The title compound, C(24)H(33)NO(4)·H(2)O, the reaction product of de­acetyl­cinobufagin with ammonium acetate, consists of three cyclo­hexane rings (A, B and C), one five-membered ring (D), one six-membered lactone ring (E) and an epoxide ring (F). The stereochemistry of the ring junctures are A/B...

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Detalles Bibliográficos
Autores principales: Tang, Hong-Jin, Yuan, Xiao-Feng, Tian, Hai-Yan, Ruan, Li-Jun, Jiang, Ren-Wang
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2014
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4051091/
https://www.ncbi.nlm.nih.gov/pubmed/24940236
http://dx.doi.org/10.1107/S1600536814010046
Descripción
Sumario:The title compound, C(24)H(33)NO(4)·H(2)O, the reaction product of de­acetyl­cinobufagin with ammonium acetate, consists of three cyclo­hexane rings (A, B and C), one five-membered ring (D), one six-membered lactone ring (E) and an epoxide ring (F). The stereochemistry of the ring junctures are A/B cis, B/C trans, C/D cis and D/F cis. Cyclo­hexane rings A, B and C have normal chair conformations. The five-membered ring D adopts an envelope conformation (with the C atom bearing the lactone ring as the flap) and the lactone ring E is planar. In the crystal, hy­droxy and water O—H⋯O and amine N—H⋯O hydrogen bonds involving carbonyl, hy­droxy and water O-atom acceptors link the mol­ecules into a three-dimensional network.