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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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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
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author Tang, Hong-Jin
Yuan, Xiao-Feng
Tian, Hai-Yan
Ruan, Li-Jun
Jiang, Ren-Wang
author_facet Tang, Hong-Jin
Yuan, Xiao-Feng
Tian, Hai-Yan
Ruan, Li-Jun
Jiang, Ren-Wang
author_sort Tang, Hong-Jin
collection PubMed
description 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.
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spelling pubmed-40510912014-06-17 De­acetyl­cinobufalactam monohydrate Tang, Hong-Jin Yuan, Xiao-Feng Tian, Hai-Yan Ruan, Li-Jun Jiang, Ren-Wang Acta Crystallogr Sect E Struct Rep Online Organic Papers 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. International Union of Crystallography 2014-05-10 /pmc/articles/PMC4051091/ /pubmed/24940236 http://dx.doi.org/10.1107/S1600536814010046 Text en © Tang et al. 2014 http://creativecommons.org/licenses/by/2.0/uk/ This is an open-access article distributed under the terms of the Creative Commons Attribution Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited.
spellingShingle Organic Papers
Tang, Hong-Jin
Yuan, Xiao-Feng
Tian, Hai-Yan
Ruan, Li-Jun
Jiang, Ren-Wang
De­acetyl­cinobufalactam monohydrate
title De­acetyl­cinobufalactam monohydrate
title_full De­acetyl­cinobufalactam monohydrate
title_fullStr De­acetyl­cinobufalactam monohydrate
title_full_unstemmed De­acetyl­cinobufalactam monohydrate
title_short De­acetyl­cinobufalactam monohydrate
title_sort de­acetyl­cinobufalactam monohydrate
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4051091/
https://www.ncbi.nlm.nih.gov/pubmed/24940236
http://dx.doi.org/10.1107/S1600536814010046
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