(11R)-13-[2-(4-Hydroxy­phen­yl)ethyl­amino]-4,5-ep­oxy-11,13-dihydro­costunolide monohydrate

The title compound (systematic name: 12-{[2-(4-hydroxyphenyl)ethyl]aminomethyl}-4,8-dimethyl-3,14-dioxatricyclo[9.3.0.0(2,4)]tetradec-7-en-13-one monohydrate), C(23)H(31)NO(4)·H(2)O, was obtained by the reaction of tyramine with parthenolide. The configuration of the new chiral center in the title c...

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Detalles Bibliográficos
Autores principales: Nasim, Shama., Parkin, Sean, Crooks, Peter A.
Formato: Texto
Lenguaje:English
Publicado: International Union of Crystallography 2008
Materias:
Organic Papers
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2960819/
https://www.ncbi.nlm.nih.gov/pubmed/21201974
http://dx.doi.org/10.1107/S1600536808003863
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author Nasim, Shama.
Parkin, Sean
Crooks, Peter A.
author_facet Nasim, Shama.
Parkin, Sean
Crooks, Peter A.
author_sort Nasim, Shama.
collection PubMed
description The title compound (systematic name: 12-{[2-(4-hydroxyphenyl)ethyl]aminomethyl}-4,8-dimethyl-3,14-dioxatricyclo[9.3.0.0(2,4)]tetradec-7-en-13-one monohydrate), C(23)H(31)NO(4)·H(2)O, was obtained by the reaction of tyramine with parthenolide. The configuration of the new chiral center in the title compound is R, establishing the stereospecificity of the amination reaction. The water molecule is disordered over three positions; the site occupancy factors are 0.45, 0.40 and 0.15.
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spelling pubmed-29608192010-12-30 (11R)-13-[2-(4-Hydroxy­phen­yl)ethyl­amino]-4,5-ep­oxy-11,13-dihydro­costunolide monohydrate Nasim, Shama. Parkin, Sean Crooks, Peter A. Acta Crystallogr Sect E Struct Rep Online Organic Papers The title compound (systematic name: 12-{[2-(4-hydroxyphenyl)ethyl]aminomethyl}-4,8-dimethyl-3,14-dioxatricyclo[9.3.0.0(2,4)]tetradec-7-en-13-one monohydrate), C(23)H(31)NO(4)·H(2)O, was obtained by the reaction of tyramine with parthenolide. The configuration of the new chiral center in the title compound is R, establishing the stereospecificity of the amination reaction. The water molecule is disordered over three positions; the site occupancy factors are 0.45, 0.40 and 0.15. International Union of Crystallography 2008-02-29 /pmc/articles/PMC2960819/ /pubmed/21201974 http://dx.doi.org/10.1107/S1600536808003863 Text en © Nasim 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
Nasim, Shama.
Parkin, Sean
Crooks, Peter A.
(11R)-13-[2-(4-Hydroxy­phen­yl)ethyl­amino]-4,5-ep­oxy-11,13-dihydro­costunolide monohydrate
title (11R)-13-[2-(4-Hydroxy­phen­yl)ethyl­amino]-4,5-ep­oxy-11,13-dihydro­costunolide monohydrate
title_full (11R)-13-[2-(4-Hydroxy­phen­yl)ethyl­amino]-4,5-ep­oxy-11,13-dihydro­costunolide monohydrate
title_fullStr (11R)-13-[2-(4-Hydroxy­phen­yl)ethyl­amino]-4,5-ep­oxy-11,13-dihydro­costunolide monohydrate
title_full_unstemmed (11R)-13-[2-(4-Hydroxy­phen­yl)ethyl­amino]-4,5-ep­oxy-11,13-dihydro­costunolide monohydrate
title_short (11R)-13-[2-(4-Hydroxy­phen­yl)ethyl­amino]-4,5-ep­oxy-11,13-dihydro­costunolide monohydrate
title_sort (11r)-13-[2-(4-hydroxy­phen­yl)ethyl­amino]-4,5-ep­oxy-11,13-dihydro­costunolide monohydrate
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2960819/
https://www.ncbi.nlm.nih.gov/pubmed/21201974
http://dx.doi.org/10.1107/S1600536808003863
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AT parkinsean 11r1324hydroxyphenylethylamino45epoxy1113dihydrocostunolidemonohydrate
AT crookspetera 11r1324hydroxyphenylethylamino45epoxy1113dihydrocostunolidemonohydrate

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