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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...
Autores principales: | , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
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International Union of Crystallography
2014
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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. |
format | Online Article Text |
id | pubmed-4257404 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2014 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
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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