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Application of relayed coherence transfer two‐dimensional nuclear magnetic resonance spectroscopy to the assignment of 1 H chemical shifts in steroids
Author(s) -
Hughes Donald W.
Publication year - 1988
Publication title -
magnetic resonance in chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.483
H-Index - 72
eISSN - 1097-458X
pISSN - 0749-1581
DOI - 10.1002/mrc.1260260308
Subject(s) - chemistry , magnetization transfer , spectral line , spectroscopy , substituent , coherence (philosophical gambling strategy) , chemical shift , nuclear magnetic resonance spectroscopy , proton , relay , two dimensional nuclear magnetic resonance spectroscopy , epimer , magnetization , nuclear magnetic resonance , molecular physics , stereochemistry , magnetic field , magnetic resonance imaging , physics , quantum mechanics , medicine , power (physics) , radiology
Relayed coherence transfer (RELAY) two‐dimensional NMR spectroscopy was demonstrated to be an effective technique for overcoming the problem of overlapping multiplets in the analysis of the 1 H NMR spectra of steroids. Cross‐sections through appropriate proton resonances resulted in resolved spectra of the spin systems for each of the saturated rings of the estrogenic hormones 17β‐ and 17α‐estradiol. During RELAY experiments with a fixed delay time of 0.042 s it was possible to observe RELAY cross‐peaks between H‐11α and 18‐CH 3 which resulted from magnetization transfer via long‐range coupling between 18‐CH 3 and H‐12α. The difference in stereochemistry at C‐17 of these estradiol epimers allowed an examination of the effect of substituent configuration on the RELAY cross‐peak intensity in order to determine the ability of the RELAY method to provide qualitative structural information.