Structural and conformational characterization of (<i>Z</i>)‐17‐[2‐(triphenylstannyl)vinyl]‐4‐estren‐17β‐ol using 2D proton detected ¹H¹³C relay and 2D NOESY spectroscopy

Abstract

Abstract 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.