12β,14-Dihy­droxy-3-oxo-5β,20(22)-cardenolide monohydrate

The title compound, digoxigenone, C(23)H(30)O(5)·H(2)O, was biotransformed from digoxigenin. In the crystal, inter­molecular O—H⋯O hydrogen bonds contribute to the formation of a three-dimensional supra­molecular structure. The title compound has three fused six-membered rings (A,B,C) and two non-fu...

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Detalles Bibliográficos
Autores principales: He, Chao-Jun, Wang, Min, Sun, Hua, Liu, Zeng-bing, Fu, Yu-wan
Formato: Texto
Lenguaje:English
Publicado: International Union of Crystallography 2010
Materias:
Organic Papers
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3009025/
https://www.ncbi.nlm.nih.gov/pubmed/21588919
http://dx.doi.org/10.1107/S1600536810038031
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author He, Chao-Jun
Wang, Min
Sun, Hua
Liu, Zeng-bing
Fu, Yu-wan
author_facet He, Chao-Jun
Wang, Min
Sun, Hua
Liu, Zeng-bing
Fu, Yu-wan
author_sort He, Chao-Jun
collection PubMed
description The title compound, digoxigenone, C(23)H(30)O(5)·H(2)O, was biotransformed from digoxigenin. In the crystal, inter­molecular O—H⋯O hydrogen bonds contribute to the formation of a three-dimensional supra­molecular structure. The title compound has three fused six-membered rings (A,B,C) and two non-fused five-membered rings (D,E). As in other structures, compound nucleus has a cis-trans-cis conformation for the A-B,B-C,C-D ring junctions with rings A, B and C exhibiting chair conformations.
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spelling pubmed-30090252010-12-30 12β,14-Dihy­droxy-3-oxo-5β,20(22)-cardenolide monohydrate He, Chao-Jun Wang, Min Sun, Hua Liu, Zeng-bing Fu, Yu-wan Acta Crystallogr Sect E Struct Rep Online Organic Papers The title compound, digoxigenone, C(23)H(30)O(5)·H(2)O, was biotransformed from digoxigenin. In the crystal, inter­molecular O—H⋯O hydrogen bonds contribute to the formation of a three-dimensional supra­molecular structure. The title compound has three fused six-membered rings (A,B,C) and two non-fused five-membered rings (D,E). As in other structures, compound nucleus has a cis-trans-cis conformation for the A-B,B-C,C-D ring junctions with rings A, B and C exhibiting chair conformations. International Union of Crystallography 2010-10-02 /pmc/articles/PMC3009025/ /pubmed/21588919 http://dx.doi.org/10.1107/S1600536810038031 Text en © He et al. 2010 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
He, Chao-Jun
Wang, Min
Sun, Hua
Liu, Zeng-bing
Fu, Yu-wan
12β,14-Dihy­droxy-3-oxo-5β,20(22)-cardenolide monohydrate
title 12β,14-Dihy­droxy-3-oxo-5β,20(22)-cardenolide monohydrate
title_full 12β,14-Dihy­droxy-3-oxo-5β,20(22)-cardenolide monohydrate
title_fullStr 12β,14-Dihy­droxy-3-oxo-5β,20(22)-cardenolide monohydrate
title_full_unstemmed 12β,14-Dihy­droxy-3-oxo-5β,20(22)-cardenolide monohydrate
title_short 12β,14-Dihy­droxy-3-oxo-5β,20(22)-cardenolide monohydrate
title_sort 12β,14-dihy­droxy-3-oxo-5β,20(22)-cardenolide monohydrate
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3009025/
https://www.ncbi.nlm.nih.gov/pubmed/21588919
http://dx.doi.org/10.1107/S1600536810038031
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AT liuzengbing 12b14dihydroxy3oxo5b2022cardenolidemonohydrate
AT fuyuwan 12b14dihydroxy3oxo5b2022cardenolidemonohydrate

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