![]() |
|
|||||||||||||
NMRPredict:
|
|
Stereochemistry - MorphineMorphine is a single enantiomer with the following resolved configuration: Let's consider the effects of inverting the stereochemistry at different stereocentres on the chemical shifts of the carbon atom 11 (as numbered in the application). For naturally occuring Morphine the atom of interest is predicted at 91.6 ppm. Inverting the stereochemistry at atom 11 (by changing the attached "H-down" to an "H-up") changes the prediction by 2 ppm to 94.1 ppm. Inverting the stereochemistry at carbon atom 10 (as numbered by the program) |