The santonins : Qantitative conformational analysis |
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| Authors: | D.N.J. White G.A. Sim |
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| Affiliation: | Department of Chemistry, The University, Glasgow G12 8QQ, Scotland |
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| Abstract: | Empirical valence force-field calculations have been used to investigate the conformations and relative strain energies of α-santonin, β-santonin, and their C(6) epimers. The cis-fused γ-lactone ring is energetically preferred over the trans and the nearly eclipsed C(13)-C(11)-C(12) = 0 torsion angle plays a key role in stabilising the isomers with a pseudo-equatorial Me group at C(11). |
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