Abstract
Two novel triterpenoids, aplysiols A ( 5) and B ( 6), have been isolated, together with structurally related known metabolites, from a South China Sea collection of the anaspidean mollusc Aplysia dactylomela. The structures of 5 and 6 were determined mainly by spectroscopic NMR techniques. The absolute stereochemistry of compound 5 was deduced by Mosher's method as well as by biogenetical consideration, whereas the absolute stereochemistry of compound 6 was established also using an integrated NMR-QM (Quantum Mechanical) approach, based on the combination of 13C NMR chemical shifts and 2,3 J C–H coupling constant DFT (density functional theory) calculations.
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