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(Reference retrieved automatically from SciELO through information on FAPESP grant and its corresponding number as mentioned in the publication by the authors.)

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

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Author(s):
Talita C. T. Medeiros ; Herbert J. Dias ; Eliane O. Silva ; Murilo J. Fukui ; Ana Carolina F. Soares ; Tapas Kar ; Vladimir C. G. Heleno ; Paulo M. Donate ; Renato L. T. Parreira ; Antônio E. M. Crotti
Total Authors: 10
Document type: Journal article
Source: Journal of the Brazilian Chemical Society; v. 27, n. 1, p. -, Jan. 2016.
Abstract

In this work we present a complete proton (1H) and carbon 13 (13C) 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 1H NMR, proton decoupled 13C (13C{1H}) 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 1H and 13C chemical shifts and showed good agreement with the trans configuration of the substituents at C7 and C8. (AU)

FAPESP's process: 11/07623-8 - The use of quantum-mechanical methods to study the bonds and chemical interactions in self-organizing systems with applications in catalysis, medicinal chemistry, electrochromism, energy storage and conversion
Grantee:Renato Luis Tame Parreira
Support type: Research Grants - Young Investigators Grants
FAPESP's process: 09/12202-1 - Antischistosomal and antileishmanial in vitro activities of some dihydrobenzofuran lignans
Grantee:Murilo de Jesus Fukui
Support type: Scholarships in Brazil - Master
FAPESP's process: 13/20094-0 - Evaluation of the anti-parasitary and insecticidal activities of benzofuran derivatives, and study of their gas-phase fragmentation reactions using tandem mass spectrometry
Grantee:Antônio Eduardo Miller Crotti
Support type: Regular Research Grants