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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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Detalles Bibliográficos
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
Descripción
Sumario: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.