Conformational analysis of natural products

Hetero- and homonuclear coupling constant calculation

An attempt to derive a new Karplus-type equation of vicinal proton-carbon coupling constants for C-O-C-H segments of bonded atoms

Tvaroska I, Hricovini M, Petrakova E; Carbohydr Res 189 (1989) 359-362



Karplus curve

Coupling constant calculation

Karplus-type equations are frequently used to relate vicinal coupling constants, i. e. 3J, to torsion angles. To calculate a coupling constant for a given dihedral angle (θ) enter a value in the form and press Calculate.
To calculate a torsion angle from a coupling constant enter the coupling constant in the 3J field press Calculate. There may be up to four solutions.
The results are shown below!
Torsion angle (θ): °
Coupling constant (3J): Hz