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Structural analysis of 25-hydroxycholesterol stereoisomers differing in configuration in position 17 and 20, by three-dimensional NMR spectra

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dc.abstract.enThe 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).
dc.affiliationUniwersytet Warszawski
dc.contributor.authorMisiak, Maria
dc.contributor.authorWójcik, Jacek
dc.contributor.authorSiciński, Rafał
dc.contributor.authorKoźmiński, Wiktor
dc.contributor.authorWicha, Jerzy
dc.date.accessioned2024-01-26T08:21:07Z
dc.date.available2024-01-26T08:21:07Z
dc.date.issued2019
dc.description.financeNie dotyczy
dc.description.volume143
dc.identifier.doi10.1016/J.STEROIDS.2018.12.005
dc.identifier.issn0039-128X
dc.identifier.urihttps://repozytorium.uw.edu.pl//handle/item/120865
dc.languageeng
dc.pbn.affiliationchemical sciences
dc.relation.ispartofSteroids
dc.relation.pages49-52
dc.rightsClosedAccess
dc.sciencecloudnosend
dc.subject.enSteroids
dc.subject.en3D NMR
dc.subject.enNon-uniform sampling
dc.subject.enDFT calculations
dc.subject.enStructure determination
dc.titleStructural analysis of 25-hydroxycholesterol stereoisomers differing in configuration in position 17 and 20, by three-dimensional NMR spectra
dc.typeJournalArticle
dspace.entity.typePublication