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Electronic circular dichroism calculation method in the assignment of absolute configuration of natural products / 国际药学研究杂志
Journal of International Pharmaceutical Research ; (6): 738-743, 2015.
Artículo en Chino | WPRIM | ID: wpr-845636
ABSTRACT
Assignment of absolute configuration is an important and challenging work in the structure elucidation of natural products. Electronic circular dichroism (ECD) calculation is a method to determine the absolute configurations by comparing experimental ECD data and calculated ECD data derived from quantum chemical calculation. With the development of the quantum chemical calculation, the calculated ECD data have become closer and closer to the experimental ones, which attracts more and more scientists to use ECD calculation to determine the absolute configuration of natural products. In this review, we recommend some general softwares and methods in ECD calculation. In addition, we give some of our works as examples to introduce ECD calculation in assignment of absolute configuration of natural products.

Texto completo: Disponible Índice: WPRIM (Pacífico Occidental) Idioma: Chino Revista: Journal of International Pharmaceutical Research Año: 2015 Tipo del documento: Artículo

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Texto completo: Disponible Índice: WPRIM (Pacífico Occidental) Idioma: Chino Revista: Journal of International Pharmaceutical Research Año: 2015 Tipo del documento: Artículo