Identification of (-)(E)-N-[2(S)-Hydroxy-2-(4-hydroxyphenyl) ethyl]ferulamide, a natural product isolated from Croton pullei: theoretical and experimental analysis.
Int J Mol Sci
; 12(12): 9389-403, 2011.
Article
en En
| MEDLINE
| ID: mdl-22272139
ABSTRACT
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.
Palabras clave
Texto completo:
1
Bases de datos:
MEDLINE
Asunto principal:
Extractos Vegetales
/
Ácidos Cumáricos
/
Croton
Tipo de estudio:
Diagnostic_studies
Idioma:
En
Revista:
Int J Mol Sci
Año:
2011
Tipo del documento:
Article
País de afiliación:
Brasil