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Structural analysis of 25-hydroxycholesterol stereoisomers differing in configuration in position 17 and 20, by three-dimensional NMR spectra.
Misiak, Maria; Kozminski, Wiktor; Wójcik, Jacek; Sicinski, Rafal R; Wicha, Jerzy.
Afiliación
  • Misiak M; Faculty of Chemistry, Biological and Chemical Research Centre, University of Warsaw, Zwirki i Wigury 101, 02-089 Warsaw, Poland.
  • Kozminski W; Faculty of Chemistry, Biological and Chemical Research Centre, University of Warsaw, Zwirki i Wigury 101, 02-089 Warsaw, Poland. Electronic address: kozmin@chem.uw.edu.pl.
  • Wójcik J; Laboratory of Biological NMR, Institute of Biochemistry and Biophysics, Polish Academy of Sciences, Pawinskiego 5a, 02-106 Warsaw, Poland.
  • Sicinski RR; Faculty of Chemistry, Biological and Chemical Research Centre, University of Warsaw, Zwirki i Wigury 101, 02-089 Warsaw, Poland.
  • Wicha J; Institute of Organic Chemistry, Polish Academy of Sciences, Kasprzaka 44/52, 01-224 Warsaw, Poland.
Steroids ; 143: 49-52, 2019 03.
Article en En | MEDLINE | ID: mdl-30582942
The application of 3D NMR experiments and DFT calculations enabled the structure investigation of C-17 epimer of 3-(25-hydroxycholest-5-enyl) acetate is presented. The H-17 and H-20 protons features the same values of 1H chemical shift, what causes that the structure elucidation require additional resolution enabled by 3D NMR experiments. The NMR experiments and theoretical calculations allowed for: the resonance assignment (3D COSY-HMBC and 3D TOCSY-HSQC techniques), the prediction of spatial structure (3D NOESY-HSQC and 3D ROESY-HSQC experiments), and the precise measurement of heteronuclear coupling constants (3D HSQC-TOCSY spectra with E.COSY-type multiplets).
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Texto completo: 1 Colección: 01-internacional Base de datos: MEDLINE Asunto principal: Hidroxicolesteroles Tipo de estudio: Prognostic_studies Idioma: En Revista: Steroids Año: 2019 Tipo del documento: Article País de afiliación: Polonia Pais de publicación: Estados Unidos

Texto completo: 1 Colección: 01-internacional Base de datos: MEDLINE Asunto principal: Hidroxicolesteroles Tipo de estudio: Prognostic_studies Idioma: En Revista: Steroids Año: 2019 Tipo del documento: Article País de afiliación: Polonia Pais de publicación: Estados Unidos