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Identification of (-)(E)-N-[2(S)-Hydroxy-2-(4-hydroxyphenyl) ethyl]ferulamide, a natural product isolated from Croton pullei: theoretical and experimental analysis.
Silva, Silvana de O; Peixoto, Rosana N S; Silva, José Rogério A; Alves, Cláudio N; Guilhon, Giselle M S P; Santos, Lourivaldo S; Brasil, Davi do S B.
Afiliação
  • Silva Sde O; Faculty of Chemistry, Institute of Exact and Natural Sciences, Federal University of Pará, CP 11101, Belém, PA 66075-110, Brazil. silvana.silva@icen.ufpa.br
Int J Mol Sci ; 12(12): 9389-403, 2011.
Article em En | MEDLINE | ID: mdl-22272139
Ferulic acid (FA) and its derivatives (FADs) are known for a variety of biological activities, such as photo-protective agent, antioxidant, antiatherogenic and antiplasmodial activities. During structural definition of a FAD isolated from Croton pullei, the possibility of a heterologous series made this definition difficult. In this regard, computational simulations were performed using theoretical calculations at DFT level to predict Infrared (IR) and Nuclear Magnetic Resonance (NMR) data. The IR and NMR (13)C and (1)H data were compared with the theoretical calculations performed for three structural possibilities of a heterologous series. The theoretical results were compared with the experimental data through linear regression in order to define the most probable structure and showed satisfactory values.
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Texto completo: 1 Coleções: 01-internacional Base de dados: MEDLINE Assunto principal: Extratos Vegetais / Ácidos Cumáricos / Croton Tipo de estudo: Diagnostic_studies Idioma: En Revista: Int J Mol Sci Ano de publicação: 2011 Tipo de documento: Article País de afiliação: Brasil País de publicação: Suíça

Texto completo: 1 Coleções: 01-internacional Base de dados: MEDLINE Assunto principal: Extratos Vegetais / Ácidos Cumáricos / Croton Tipo de estudo: Diagnostic_studies Idioma: En Revista: Int J Mol Sci Ano de publicação: 2011 Tipo de documento: Article País de afiliação: Brasil País de publicação: Suíça