Epimeric Mixture Analysis and Absolute Configuration Determination Using an Integrated Spectroscopic and Computational Approach-A Case Study of Two Epimers of 6-Hydroxyhippeastidine.

Le, Ngoc-Thao-Hien; Vermeyen, Tom; Aerts, Roy; Herrebout, Wouter A; Pieters, Luc; Tuenter, Emmy

Le, Ngoc-Thao-Hien; Vermeyen, Tom; Aerts, Roy; Herrebout, Wouter A; Pieters, Luc; Tuenter, Emmy.

Afiliación

Le NT; Natural Products & Food Research and Analysis (NatuRA), Department of Pharmaceutical Sciences, University of Antwerp, Universiteitsplein 1, 2610 Antwerp, Belgium.
Vermeyen T; Molecular Spectroscopy (MolSpec), Department of Chemistry, University of Antwerp, Groenenborgerlaan 171, 2020 Antwerp, Belgium.
Aerts R; Molecular Spectroscopy (MolSpec), Department of Chemistry, University of Antwerp, Groenenborgerlaan 171, 2020 Antwerp, Belgium.
Herrebout WA; Molecular Spectroscopy (MolSpec), Department of Chemistry, University of Antwerp, Groenenborgerlaan 171, 2020 Antwerp, Belgium.
Pieters L; Natural Products & Food Research and Analysis (NatuRA), Department of Pharmaceutical Sciences, University of Antwerp, Universiteitsplein 1, 2610 Antwerp, Belgium.
Tuenter E; Natural Products & Food Research and Analysis (NatuRA), Department of Pharmaceutical Sciences, University of Antwerp, Universiteitsplein 1, 2610 Antwerp, Belgium.

Molecules ; 28(1)2022 Dec 26.

Article en En | MEDLINE | ID: mdl-36615407

Asunto(s)

Dicroismo Circular; Dispersión Óptica Rotatoria/métodos; Modelos Moleculares; Estereoisomerismo; Teoría Funcional de la Densidad; Estructura Molecular

Palabras clave

6-hydroxyhippeastidine; CASE; DFT calculation; ECD; OR/ORD; VCD; epimeric mixture analysis

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Texto completo: 1 Colección: 01-internacional Banco de datos: MEDLINE Asunto principal: Dicroismo Circular Idioma: En Revista: Molecules Asunto de la revista: BIOLOGIA Año: 2022 Tipo del documento: Article País de afiliación: Bélgica

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