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9α-Bromo analog of beclometasone dipropionate monohydrate

In the crystal structure of (8S,9R,10S,11S,13S,14S,16S,17R)-9α-bromo-11-hydr­oxy-10,13,16-trimethyl-3-oxo-17-[2-(propion­yloxy)acet­yl]-6,7,8,9,10,11,12,13,14,15,16,17-dodeca­hydro-3H-cyclo­penta­[a]phenanthren-17-yl propionate monohydrate, C(28)H(37)BrO(7)·H(2)O, which has a 9α-Br atom in place of...

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Autores principales: Ketuly, Kamal Aziz, A. Hadi, A. Hamid, Ng, Seik Weng
Formato: Texto
Lenguaje:English
Publicado: International Union of Crystallography 2009
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2977184/
https://www.ncbi.nlm.nih.gov/pubmed/21583523
http://dx.doi.org/10.1107/S1600536809025975
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author Ketuly, Kamal Aziz
A. Hadi, A. Hamid
Ng, Seik Weng
author_facet Ketuly, Kamal Aziz
A. Hadi, A. Hamid
Ng, Seik Weng
author_sort Ketuly, Kamal Aziz
collection PubMed
description In the crystal structure of (8S,9R,10S,11S,13S,14S,16S,17R)-9α-bromo-11-hydr­oxy-10,13,16-trimethyl-3-oxo-17-[2-(propion­yloxy)acet­yl]-6,7,8,9,10,11,12,13,14,15,16,17-dodeca­hydro-3H-cyclo­penta­[a]phenanthren-17-yl propionate monohydrate, C(28)H(37)BrO(7)·H(2)O, which has a 9α-Br atom in place of the 9α-Cl atom of monohydrated beclometasone dipropionate, one six-membered ring is planar (r.m.s. deviation = 0.02 Å) owing to its 1,4-diene-3-one composition, whereas the two other six-membered rings each have a chair conformation. The organic mol­ecule and water mol­ecules engage in hydrogen-bonding inter­actions, generating a helical chain running along the c axis of the ortho­rhom­bic unit cell.
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spelling pubmed-29771842010-12-30 9α-Bromo analog of beclometasone dipropionate monohydrate Ketuly, Kamal Aziz A. Hadi, A. Hamid Ng, Seik Weng Acta Crystallogr Sect E Struct Rep Online Organic Papers In the crystal structure of (8S,9R,10S,11S,13S,14S,16S,17R)-9α-bromo-11-hydr­oxy-10,13,16-trimethyl-3-oxo-17-[2-(propion­yloxy)acet­yl]-6,7,8,9,10,11,12,13,14,15,16,17-dodeca­hydro-3H-cyclo­penta­[a]phenanthren-17-yl propionate monohydrate, C(28)H(37)BrO(7)·H(2)O, which has a 9α-Br atom in place of the 9α-Cl atom of monohydrated beclometasone dipropionate, one six-membered ring is planar (r.m.s. deviation = 0.02 Å) owing to its 1,4-diene-3-one composition, whereas the two other six-membered rings each have a chair conformation. The organic mol­ecule and water mol­ecules engage in hydrogen-bonding inter­actions, generating a helical chain running along the c axis of the ortho­rhom­bic unit cell. International Union of Crystallography 2009-07-11 /pmc/articles/PMC2977184/ /pubmed/21583523 http://dx.doi.org/10.1107/S1600536809025975 Text en © Ketuly et al. 2009 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
Ketuly, Kamal Aziz
A. Hadi, A. Hamid
Ng, Seik Weng
9α-Bromo analog of beclometasone dipropionate monohydrate
title 9α-Bromo analog of beclometasone dipropionate monohydrate
title_full 9α-Bromo analog of beclometasone dipropionate monohydrate
title_fullStr 9α-Bromo analog of beclometasone dipropionate monohydrate
title_full_unstemmed 9α-Bromo analog of beclometasone dipropionate monohydrate
title_short 9α-Bromo analog of beclometasone dipropionate monohydrate
title_sort 9α-bromo analog of beclometasone dipropionate monohydrate
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2977184/
https://www.ncbi.nlm.nih.gov/pubmed/21583523
http://dx.doi.org/10.1107/S1600536809025975
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