Andres Parra Sanchez

Conformational analysis on 6-eudesmanolides by molecular mechanics (MM2) and theoretical 3JHH calculation

Abstract Molecular mechanics (MM2) calculations were carried out on conformers of 6-eudesmanolide derivatives. According to the numerical results obtained, the conformational behaviour of the compounds studied can be predicted and the geometry tendencies of the different products studied. Thus the coupling constants were calculated theoretically, giving results consistent with the experimental data.

Structural studies on sesquiterpenes (III) Conformational analysis and comparison of 6α- and 6β- with 8α- and 8β-eudesmanolides☆

Abstract Molecular mechanics (MM2) calculations have been carried out for 6-eudesmanolides in comparison with 8-eudesmanolides (compound 1–6 ). According to the numerical results obtained, the conformational behaviour of the titled compounds can be predicted, as well the geometric tendencies of the different products studied. Thus, the coupling constants are calculated theoretically, giving results consistent with the experimental data.

Structural studies on sesquiterpenes (II) Conformational analysis on 6β-eudesmanes by molecular mechanics (MM2) and theoretical 3JHH calculations☆

Abstract Molecular mechanics calculations (MM2) have been carried out for conformers of the 6β-eudesmane derivatives (compounds 1–6 ). According to the numerical results obtained, the conformational behaviour of the titled compounds can be predicted as well as the geometry tendencies of the different products studied. Thus, the coupling constants are calculated theoretically, giving results consistent with the experimental data.