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Crystal structure of hydro­cortisone 17-butyrate

In the title compound, C(25)H(36)O(6), the two central cyclo­hexane rings exhibit a chair conformation. The terminal cyclo­hexene and cyclo­pentane rings are in half-chair and envelope conformations (with the C atom bearing the methyl substit­uent as the flap), respectively. The methyl group of the...

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Autores principales: Zhu, Yu, Shen, Wei, Wang, Hai-li
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2014
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4257404/
https://www.ncbi.nlm.nih.gov/pubmed/25553020
http://dx.doi.org/10.1107/S1600536814023903
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author Zhu, Yu
Shen, Wei
Wang, Hai-li
author_facet Zhu, Yu
Shen, Wei
Wang, Hai-li
author_sort Zhu, Yu
collection PubMed
description In the title compound, C(25)H(36)O(6), the two central cyclo­hexane rings exhibit a chair conformation. The terminal cyclo­hexene and cyclo­pentane rings are in half-chair and envelope conformations (with the C atom bearing the methyl substit­uent as the flap), respectively. The methyl group of the butyrate chain is disordered over two orientations, with a refined occupancy ratio of 0.742 (6):0.258 (6). Intra­molecular O—H⋯O and C—H⋯O hydrogen bonds are observed. In the crystal, mol­ecules are linked by O—H⋯O hydrogen bonds into chains running parallel to the a axis.
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spelling pubmed-42574042014-12-31 Crystal structure of hydro­cortisone 17-butyrate Zhu, Yu Shen, Wei Wang, Hai-li Acta Crystallogr Sect E Struct Rep Online Data Reports In the title compound, C(25)H(36)O(6), the two central cyclo­hexane rings exhibit a chair conformation. The terminal cyclo­hexene and cyclo­pentane rings are in half-chair and envelope conformations (with the C atom bearing the methyl substit­uent as the flap), respectively. The methyl group of the butyrate chain is disordered over two orientations, with a refined occupancy ratio of 0.742 (6):0.258 (6). Intra­molecular O—H⋯O and C—H⋯O hydrogen bonds are observed. In the crystal, mol­ecules are linked by O—H⋯O hydrogen bonds into chains running parallel to the a axis. International Union of Crystallography 2014-11-05 /pmc/articles/PMC4257404/ /pubmed/25553020 http://dx.doi.org/10.1107/S1600536814023903 Text en © Zhu 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 Data Reports
Zhu, Yu
Shen, Wei
Wang, Hai-li
Crystal structure of hydro­cortisone 17-butyrate
title Crystal structure of hydro­cortisone 17-butyrate
title_full Crystal structure of hydro­cortisone 17-butyrate
title_fullStr Crystal structure of hydro­cortisone 17-butyrate
title_full_unstemmed Crystal structure of hydro­cortisone 17-butyrate
title_short Crystal structure of hydro­cortisone 17-butyrate
title_sort crystal structure of hydro­cortisone 17-butyrate
topic Data Reports
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4257404/
https://www.ncbi.nlm.nih.gov/pubmed/25553020
http://dx.doi.org/10.1107/S1600536814023903
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