Raman optical activity of a flavone C-diglycoside: Aqueous solution conformations and absolute configuration

Autor(es)

Calisto, Italo H. ; Furlan, Maysa ; Blanch, Ewan W. ; Batista, Joao M., Jr.

• Tipo de documento: Artigo Científico
• Fonte: VIBRATIONAL SPECTROSCOPY; v. 91, p. 5-pg., 2017-07-01.

Resumo

The combination of experimental and theoretical Raman optical activity data for the flavone C-diglycoside isoswertisin-4'-methyl-ether-2"alpha-L-rhamnoside provided detailed information about its conformational preferences in aqueous solution as well as the absolute configuration of the glycosidic linkage. This work also demonstrated the importance of explicit solvation for accurate predictions of the conformational ensemble and vibrational optical activity properties of natural products in water, as opposed to gas-phase or polarizable continuum model calculations. (C) 2016 Elsevier B.V. All rights reserved. (AU)

• Processo FAPESP: 14/25222-9 - Espectroscopia quiróptica vibracional na caracterização estereoquímica de pequenas moléculas e macromoléculas
• Beneficiário: João Marcos Batista Junior
• Modalidade de apoio: Auxílio à Pesquisa - Jovens Pesquisadores
• Processo FAPESP: 15/07089-2 - Espectroscopia quiróptica vibracional na caracterização estereoquímica de pequenas moléculas e macromoléculas
• Beneficiário: João Marcos Batista Junior
• Modalidade de apoio: Bolsas no Brasil - Jovens Pesquisadores