11β,13-Dihydro­lactucin-8-O-acetate hemihydrate

The title structure (systematic name: 9-hydroxy­methyl-3,6-di­methyl-3-methyl­ene-2,7-dioxo-3,3a,4,5,9a,9b-hexa­hydro­azu­leno[4,5-b]furan-4-yl acetate hemihydrate), C(17)H(20)O(6)·0.5H(2)O, from Lactuca floridana, has two independent sesquiterpene lactone mol­ecules in the asymmetric unit. Both hav...

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Detalles Bibliográficos
Autores principales: Fronczek, Chris F., Gomez-Barrios, Marco L., Fischer, Nikolaus H., Fronczek, Frank R.
Formato: Texto
Lenguaje:English
Publicado: International Union of Crystallography 2009
Materias:
Organic Papers
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2970292/
https://www.ncbi.nlm.nih.gov/pubmed/21578003
http://dx.doi.org/10.1107/S160053680903829X
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author Fronczek, Chris F.
Gomez-Barrios, Marco L.
Fischer, Nikolaus H.
Fronczek, Frank R.
author_facet Fronczek, Chris F.
Gomez-Barrios, Marco L.
Fischer, Nikolaus H.
Fronczek, Frank R.
author_sort Fronczek, Chris F.
collection PubMed
description The title structure (systematic name: 9-hydroxy­methyl-3,6-di­methyl-3-methyl­ene-2,7-dioxo-3,3a,4,5,9a,9b-hexa­hydro­azu­leno[4,5-b]furan-4-yl acetate hemihydrate), C(17)H(20)O(6)·0.5H(2)O, from Lactuca floridana, has two independent sesquiterpene lactone mol­ecules in the asymmetric unit. Both have their seven-membered rings in the chair conformation. In the crystal, the OH groups and the water mol­ecule form classical O—H⋯O hydrogen bonds with O⋯O distances in the range 2.6750 (17)–2.8160 (18) Å.
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spelling pubmed-29702922010-12-30 11β,13-Dihydro­lactucin-8-O-acetate hemihydrate Fronczek, Chris F. Gomez-Barrios, Marco L. Fischer, Nikolaus H. Fronczek, Frank R. Acta Crystallogr Sect E Struct Rep Online Organic Papers The title structure (systematic name: 9-hydroxy­methyl-3,6-di­methyl-3-methyl­ene-2,7-dioxo-3,3a,4,5,9a,9b-hexa­hydro­azu­leno[4,5-b]furan-4-yl acetate hemihydrate), C(17)H(20)O(6)·0.5H(2)O, from Lactuca floridana, has two independent sesquiterpene lactone mol­ecules in the asymmetric unit. Both have their seven-membered rings in the chair conformation. In the crystal, the OH groups and the water mol­ecule form classical O—H⋯O hydrogen bonds with O⋯O distances in the range 2.6750 (17)–2.8160 (18) Å. International Union of Crystallography 2009-09-30 /pmc/articles/PMC2970292/ /pubmed/21578003 http://dx.doi.org/10.1107/S160053680903829X Text en © Fronczek 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
Fronczek, Chris F.
Gomez-Barrios, Marco L.
Fischer, Nikolaus H.
Fronczek, Frank R.
11β,13-Dihydro­lactucin-8-O-acetate hemihydrate
title 11β,13-Dihydro­lactucin-8-O-acetate hemihydrate
title_full 11β,13-Dihydro­lactucin-8-O-acetate hemihydrate
title_fullStr 11β,13-Dihydro­lactucin-8-O-acetate hemihydrate
title_full_unstemmed 11β,13-Dihydro­lactucin-8-O-acetate hemihydrate
title_short 11β,13-Dihydro­lactucin-8-O-acetate hemihydrate
title_sort 11β,13-dihydro­lactucin-8-o-acetate hemihydrate
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2970292/
https://www.ncbi.nlm.nih.gov/pubmed/21578003
http://dx.doi.org/10.1107/S160053680903829X
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AT fronczekfrankr 11b13dihydrolactucin8oacetatehemihydrate

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