The hallucinogenic neoclerodane diterpenoid salvinorin A has its complete hydrogen and carbon nuclear magnetic resonance (NMR) spectral assignments determined in three different NMR solvents using HSQC, HMBC, and COSY techniques. Solvent systems that resolve all hydrogen signals are described. Virtual coupling is observed for protons at positions C-2, C-3, and C-4 in the 600 MHz hydrogen spectrum in CDCl3. Complete assignments for the hydrogen and carbon NMR spectra of salvinorin B are also reported.
Benchtop NMR spectroscopy at 60 MHz can distinguish seven members of the 2C-X series of new psychoactive substances (2C-B, 2C-C, 2C-D, 2C-E, 2C-P, 2C-T2, and 2C-T7) based on their proton NMR spectra. The molecular structural relationships among these compounds are reflected in their spectral patterns, supporting the use of portable benchtop NMR instruments for forensic drug identification.