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BIBTEX RIS

Detailed 1 H and 13 C NMR Spectral Data Assignment for Two Dihydrobenzofuran Neolignans

2015; Brazilian Chemical Society; Linguagem: Inglês

10.5935/0103-5053.20150262

ISSN

1678-4790

Autores

Talita C. T. Medeiros, Herbert Júnior Dias, Eliane de Oliveira Silva, Murilo J. Fukui, Ana Carolina Ferreira Soares, Tapas Kar, Vladimir Constantino Gomes Heleno, Paulo Marcos Donate, Renato L. T. Parreira, Antônio Eduardo Miller Crotti,

Tópico(s)

Natural product bioactivities and synthesis

Resumo

In this work we present a complete proton ( 1 H) and carbon 13 ( 13 C) nuclear magnetic resonance (NMR) spectral analysis of two synthetic dihydrofuran neolignans (±)-trans-dehydrodicoumarate dimethyl ester and (±)-trans-dehydrodiferulate dimethyl ester.Unequivocal assignments were achieved by 1 H NMR, proton decoupled 13 C ( 13 C{ 1 H}) NMR spectra, gradient-selected correlation spectroscopy (gCOSY), J-resolved, gradient-selected heteronuclear multiple quantum coherence (gHMQC), gradient-selected heteronuclear multiple bond coherence (gHMBC) and nuclear Overhauser effect spectroscopy (NOESY) experiments.All hydrogen coupling constants were measured, clarifying all the hydrogen signals multiplicities.Computational methods were also used to simulate the 1 H and 13 C chemical shifts and showed good agreement with the trans configuration of the substituents at C 7 and C 8 .

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