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Table 3 Calculated and experimental 3JCH scalar couplings for the C14 enantiomers

From: Anti-proliferative activity of a novel tricyclic triterpenoid acid from Commiphora africana resin against four human cancer cell lines

 Population3JC8H14JC12H14JC26H14Configuration
Gauche +120.682.124.56R
Gauche −87.70.984.62.11
Anti0.34.790.823.29
Averaged0.964.382.32
Gauche +11.15.23.160.87S
Gauche −11.71.441.644.41
Anti77.20.684.42.55
Averaged1.233.982.57
Experimental0.85.33.7 
  1. a C26–C13–C14–C27, torsion angle between the two methyl groups as obtained for the optimized DFT geometries