(4S,8S,9R,12E)-8,9,16,18-Tetrahydroxy-4-methyl-3-oxabicyclo[12.4.0]octadeca-12,14,16,18-tetraen-2-one monohydrate

The asymmetric unit of the title compound, C(18)H(24)O(6)·H(2)O, contains a 14-membered macrolide mol­ecule and a water mol­ecule. In the crystal structure, intra­molecular C—H⋯O and O—H⋯O hydrogen bonds help to stabilize the mol­ecular conformation, while inter­molecular O—H⋯O hydrogen bonds link t...

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Detalles Bibliográficos
Autores principales: Zhao, Ling-Ling, Gai, Yue, Kobayashi, Hisayoshi, Hu, Chang-Qi, Zhang, Hui-Ping
Formato: Texto
Lenguaje:English
Publicado: International Union of Crystallography 2008
Materias:
Organic Papers
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2961568/
https://www.ncbi.nlm.nih.gov/pubmed/21202724
http://dx.doi.org/10.1107/S1600536808010258
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author Zhao, Ling-Ling
Gai, Yue
Kobayashi, Hisayoshi
Hu, Chang-Qi
Zhang, Hui-Ping
author_facet Zhao, Ling-Ling
Gai, Yue
Kobayashi, Hisayoshi
Hu, Chang-Qi
Zhang, Hui-Ping
author_sort Zhao, Ling-Ling
collection PubMed
description The asymmetric unit of the title compound, C(18)H(24)O(6)·H(2)O, contains a 14-membered macrolide mol­ecule and a water mol­ecule. In the crystal structure, intra­molecular C—H⋯O and O—H⋯O hydrogen bonds help to stabilize the mol­ecular conformation, while inter­molecular O—H⋯O hydrogen bonds link the mol­ecules, forming an infinite network. The absolute configuration was assigned by comparison with related zearalenone compounds, but needs verification.
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spelling pubmed-29615682010-12-30 (4S,8S,9R,12E)-8,9,16,18-Tetrahydroxy-4-methyl-3-oxabicyclo[12.4.0]octadeca-12,14,16,18-tetraen-2-one monohydrate Zhao, Ling-Ling Gai, Yue Kobayashi, Hisayoshi Hu, Chang-Qi Zhang, Hui-Ping Acta Crystallogr Sect E Struct Rep Online Organic Papers The asymmetric unit of the title compound, C(18)H(24)O(6)·H(2)O, contains a 14-membered macrolide mol­ecule and a water mol­ecule. In the crystal structure, intra­molecular C—H⋯O and O—H⋯O hydrogen bonds help to stabilize the mol­ecular conformation, while inter­molecular O—H⋯O hydrogen bonds link the mol­ecules, forming an infinite network. The absolute configuration was assigned by comparison with related zearalenone compounds, but needs verification. International Union of Crystallography 2008-05-07 /pmc/articles/PMC2961568/ /pubmed/21202724 http://dx.doi.org/10.1107/S1600536808010258 Text en © Zhao et al. 2008 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
Zhao, Ling-Ling
Gai, Yue
Kobayashi, Hisayoshi
Hu, Chang-Qi
Zhang, Hui-Ping
(4S,8S,9R,12E)-8,9,16,18-Tetrahydroxy-4-methyl-3-oxabicyclo[12.4.0]octadeca-12,14,16,18-tetraen-2-one monohydrate
title (4S,8S,9R,12E)-8,9,16,18-Tetrahydroxy-4-methyl-3-oxabicyclo[12.4.0]octadeca-12,14,16,18-tetraen-2-one monohydrate
title_full (4S,8S,9R,12E)-8,9,16,18-Tetrahydroxy-4-methyl-3-oxabicyclo[12.4.0]octadeca-12,14,16,18-tetraen-2-one monohydrate
title_fullStr (4S,8S,9R,12E)-8,9,16,18-Tetrahydroxy-4-methyl-3-oxabicyclo[12.4.0]octadeca-12,14,16,18-tetraen-2-one monohydrate
title_full_unstemmed (4S,8S,9R,12E)-8,9,16,18-Tetrahydroxy-4-methyl-3-oxabicyclo[12.4.0]octadeca-12,14,16,18-tetraen-2-one monohydrate
title_short (4S,8S,9R,12E)-8,9,16,18-Tetrahydroxy-4-methyl-3-oxabicyclo[12.4.0]octadeca-12,14,16,18-tetraen-2-one monohydrate
title_sort (4s,8s,9r,12e)-8,9,16,18-tetrahydroxy-4-methyl-3-oxabicyclo[12.4.0]octadeca-12,14,16,18-tetraen-2-one monohydrate
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2961568/
https://www.ncbi.nlm.nih.gov/pubmed/21202724
http://dx.doi.org/10.1107/S1600536808010258
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