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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...
Autores principales: | , , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2014
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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. |
format | Online Article Text |
id | pubmed-4051091 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2014 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
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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