(3S)-14,16-Dihy­droxy-3-methyl-3,4,5,6,9,10,11,12-octa­hydro-1H-2-benzoxacyclo­tetra­decine-1,7(8H)-dione (zearalanone) monohydrate

The absolute configuration of the title compound, C(18)H(24)O(5)·H(2)O, was not been determined by anomalous-dispersion effects, but has been assigned by reference to an unchanging chiral centre in the synthetic procedure. Intra­molecular O—H⋯O hydrogen bonds stabilize the mol­ecular conformation. I...

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Detalles Bibliográficos
Autores principales: Drzymala, Sarah, Kraus, Werner, Emmerling, Franziska, Koch, Matthias
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2012
Materias:
Organic Papers
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3344672/
https://www.ncbi.nlm.nih.gov/pubmed/22590434
http://dx.doi.org/10.1107/S1600536812018168
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author Drzymala, Sarah
Kraus, Werner
Emmerling, Franziska
Koch, Matthias
author_facet Drzymala, Sarah
Kraus, Werner
Emmerling, Franziska
Koch, Matthias
author_sort Drzymala, Sarah
collection PubMed
description The absolute configuration of the title compound, C(18)H(24)O(5)·H(2)O, was not been determined by anomalous-dispersion effects, but has been assigned by reference to an unchanging chiral centre in the synthetic procedure. Intra­molecular O—H⋯O hydrogen bonds stabilize the mol­ecular conformation. In the crystal, O—H⋯O hydrogen bonds link the main mol­ecules and the water mol­ecules, forming an infinite three-dimensional network.
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spelling pubmed-33446722012-05-15 (3S)-14,16-Dihy­droxy-3-methyl-3,4,5,6,9,10,11,12-octa­hydro-1H-2-benzoxacyclo­tetra­decine-1,7(8H)-dione (zearalanone) monohydrate Drzymala, Sarah Kraus, Werner Emmerling, Franziska Koch, Matthias Acta Crystallogr Sect E Struct Rep Online Organic Papers The absolute configuration of the title compound, C(18)H(24)O(5)·H(2)O, was not been determined by anomalous-dispersion effects, but has been assigned by reference to an unchanging chiral centre in the synthetic procedure. Intra­molecular O—H⋯O hydrogen bonds stabilize the mol­ecular conformation. In the crystal, O—H⋯O hydrogen bonds link the main mol­ecules and the water mol­ecules, forming an infinite three-dimensional network. International Union of Crystallography 2012-04-28 /pmc/articles/PMC3344672/ /pubmed/22590434 http://dx.doi.org/10.1107/S1600536812018168 Text en © Drzymala et al. 2012 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
Drzymala, Sarah
Kraus, Werner
Emmerling, Franziska
Koch, Matthias
(3S)-14,16-Dihy­droxy-3-methyl-3,4,5,6,9,10,11,12-octa­hydro-1H-2-benzoxacyclo­tetra­decine-1,7(8H)-dione (zearalanone) monohydrate
title (3S)-14,16-Dihy­droxy-3-methyl-3,4,5,6,9,10,11,12-octa­hydro-1H-2-benzoxacyclo­tetra­decine-1,7(8H)-dione (zearalanone) monohydrate
title_full (3S)-14,16-Dihy­droxy-3-methyl-3,4,5,6,9,10,11,12-octa­hydro-1H-2-benzoxacyclo­tetra­decine-1,7(8H)-dione (zearalanone) monohydrate
title_fullStr (3S)-14,16-Dihy­droxy-3-methyl-3,4,5,6,9,10,11,12-octa­hydro-1H-2-benzoxacyclo­tetra­decine-1,7(8H)-dione (zearalanone) monohydrate
title_full_unstemmed (3S)-14,16-Dihy­droxy-3-methyl-3,4,5,6,9,10,11,12-octa­hydro-1H-2-benzoxacyclo­tetra­decine-1,7(8H)-dione (zearalanone) monohydrate
title_short (3S)-14,16-Dihy­droxy-3-methyl-3,4,5,6,9,10,11,12-octa­hydro-1H-2-benzoxacyclo­tetra­decine-1,7(8H)-dione (zearalanone) monohydrate
title_sort (3s)-14,16-dihy­droxy-3-methyl-3,4,5,6,9,10,11,12-octa­hydro-1h-2-benzoxacyclo­tetra­decine-1,7(8h)-dione (zearalanone) monohydrate
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3344672/
https://www.ncbi.nlm.nih.gov/pubmed/22590434
http://dx.doi.org/10.1107/S1600536812018168
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