Configuration of stilbene derivatives by (1)H NMR and theoretical calculation of chemical shifts
Contribuinte(s) |
UNIVERSIDADE DE SÃO PAULO |
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Data(s) |
19/10/2012
19/10/2012
2010
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Resumo |
The direct E/Z configuration assignment of tri- and tetra-substituted stilbenes (and other analogous olefins) when only one of the isomers is available is a quite challenging task. Sometimes, a chemical transformation or some other tedious method is necessary for determination of the double bond substitution pattern. In this paper, we relied on theoretical calculation of chemical shifts as a complementary tool for (1)H NMR determination of the configuration of an alpha-phenylcinnamic acid prepared as a unique isomer by the Perkin reaction. (C) 2010 Elsevier B.V. All rights reserved. Fundacao de Amparo a Pesquisa do Estado de Sao Paulo (FAPESP) Conselho Nacional de Desenvolvimento Cientifico e Tecnologico (CNPq) Coordenadoria de Aperfeicoamento de Pessoal de Nivel Superior (CAPES) |
Identificador |
JOURNAL OF MOLECULAR STRUCTURE, v.975, n.1/Mar, p.59-62, 2010 0022-2860 http://producao.usp.br/handle/BDPI/20826 10.1016/j.molstruc.2010.03.079 |
Idioma(s) |
eng |
Publicador |
ELSEVIER SCIENCE BV |
Relação |
Journal of Molecular Structure |
Direitos |
restrictedAccess Copyright ELSEVIER SCIENCE BV |
Palavras-Chave | #Chemical shift calculation #NMR #GIAO #Stilbene #NATURAL-PRODUCTS #RESVERATROL #NMR #ANALOGS #WINE #Chemistry, Physical |
Tipo |
article original article publishedVersion |