Characterization by 2D-NMR and chemical properties of (20Z)-3-methoxy-17-[2-(triphenylstannyl)vinyl]estra-1,3,5(10)-trien-17β-ol

Abstract

The complete solution structure and conformation of the title compound were determined by 2D proton detected ¹H–¹³C HMQC-RELAY and 2D-NOESY build-up experiments. The assignment of the low field resonances of the quaternary carbon atoms was achieved by 1D–¹³C NMR with selective decoupling of the high field protons. Proton detected ¹H–¹¹⁹Sn HMBC 1D and 2D NMR spectroscopy enables the observation of a very weak coupling between the hydroxy proton of the steroid moiety and the ¹¹⁹Sn nucleus. These proton detected experiments as well as ¹³C and ¹¹⁹Sn SIMPLE NMR provide evidence for a HO → Sn coordination to occur in solution.