Abstract

The calculation of chemical shift values by the method used in Part I has been extended to a derivation of the shielding effect of the ketonic CO group. The calculations include consideration of both the magnetic anisotropy screening and the electric field screening effect in this substituent. Using the complete series of monoketoandrostanes, the values of the anisotropies of the CO double bond and of K, a parameter descriptive of the electric screening effect, have been derived for various, coincidental locations of the magnetic and electric dipoles along the As with the CC double bond, our results necessitate a substantial modification of the conventional picture of the shielding ‘cone’ around the CO group. The general validity of these concepts has been illustrated by their application to a variety of substances, including a selection of diterpenes and their ketonic derivatives.

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