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Complete Assignment of 1H and 13C NMR Spectra and Conformational Analysis of Thioamide Cannabinoids

✍ Scribed by J. G. Sośnicki; T. S. Jagodziński; B. Nowak-Wydra; P. E. Hansen

Publisher
John Wiley and Sons
Year
1996
Tongue
English
Weight
643 KB
Volume
34
Category
Article
ISSN
0749-1581

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✦ Synopsis

The complete assignment of the 'H and 13C NMR spectra of two carbothioamide-substituted meroterpenes is presented. Resonance assignments were achieved by the use of one-and two-dimensional NMR, NOED, selective decoupling measurements and the deuterium isotope effect on the I3C chemical shifts. Six-membered ring conformations were determined by analysis of proton spin coupling constants with the aid of spectral simulations in conjunction with molecular mechanics calculations and equations correlating coupling constants and dihedral angles. The anisotropy effect of benzene rings was used for structural assignments.

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