Crystal structure of hydrocortisone 17-butyrate

In the title compound, C25H36O6, 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 c...

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Main Authors:	Yu Zhu, Wei Shen, Hai-li Wang
Format:	Article
Language:	English
Published:	International Union of Crystallography 2014-12-01
Series:	Acta Crystallographica Section E
Subjects:	crystal structure hydrocortisone derivative hydrogen bonds pharmacological activity
Online Access:	http://scripts.iucr.org/cgi-bin/paper?S1600536814023903

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spelling	doaj-8d77344ace794228830ebce473e4ba3e2020-11-25T02:00:10ZengInternational Union of CrystallographyActa Crystallographica Section E1600-53682014-12-017012o1239o124010.1107/S1600536814023903rz5136Crystal structure of hydrocortisone 17-butyrateYu Zhu0Wei Shen1Hai-li Wang2College of Chemistry and Molecular Engineering, Zhengzhou University, Zhengzhou 450001, People's Republic of ChinaCollege of Chemistry and Molecular Engineering, Zhengzhou University, Zhengzhou 450001, People's Republic of ChinaCollege of Chemistry and Molecular Engineering, Zhengzhou University, Zhengzhou 450001, People's Republic of ChinaIn the title compound, C25H36O6, 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.http://scripts.iucr.org/cgi-bin/paper?S1600536814023903crystal structurehydrocortisone derivativehydrogen bondspharmacological activity
collection	DOAJ
language	English
format	Article
sources	DOAJ
author	Yu Zhu Wei Shen Hai-li Wang
spellingShingle	Yu Zhu Wei Shen Hai-li Wang Crystal structure of hydrocortisone 17-butyrate Acta Crystallographica Section E crystal structure hydrocortisone derivative hydrogen bonds pharmacological activity
author_facet	Yu Zhu Wei Shen Hai-li Wang
author_sort	Yu Zhu
title	Crystal structure of hydrocortisone 17-butyrate
title_short	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_sort	crystal structure of hydrocortisone 17-butyrate
publisher	International Union of Crystallography
series	Acta Crystallographica Section E
issn	1600-5368
publishDate	2014-12-01
description	In the title compound, C25H36O6, 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.
topic	crystal structure hydrocortisone derivative hydrogen bonds pharmacological activity
url	http://scripts.iucr.org/cgi-bin/paper?S1600536814023903
work_keys_str_mv	AT yuzhu crystalstructureofhydrocortisone17butyrate AT weishen crystalstructureofhydrocortisone17butyrate AT hailiwang crystalstructureofhydrocortisone17butyrate
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Crystal structure of hydrocortisone 17-butyrate

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