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Structural and conformational characterization of ( Z )‐17‐[2‐(triphenylstannyl)vinyl]‐4‐estren‐17β‐ol using 2D proton detected 1 H 13 C relay and 2D NOESY spectroscopy
Author(s) -
Kayser François,
Biesemans Monique,
Pan Huade,
Gielen Marcel,
Willem Rudolph
Publication year - 1992
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.1260300915
Subject(s) - heteronuclear molecule , chemistry , two dimensional nuclear magnetic resonance spectroscopy , spectroscopy , proton , nuclear magnetic resonance spectroscopy , crystallography , nuclear overhauser effect , pulse sequence , analytical chemistry (journal) , stereochemistry , nuclear magnetic resonance , physics , organic chemistry , quantum mechanics
Two‐dimensional proton detected heteronuclear 1 H 13 C relayed coherence transfer, combined with 2D NOESY spectroscopy at 500 MHz, allowed the complete assignment of the 13 C and 1 H spectra of ( Z )‐17‐[2‐(triphenylstannyl)vinyl]‐4‐estren‐17β‐ol. The conformation of this compound in solution was established from a 2D NOESY build‐up experiment and compared with the solid‐state structure obtained from previous x‐ray diffraction analysis. Proton–proton coupling constants were obtained from phase‐sensitive 1 H double quantum filtered COSY spectroscopy.