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Keywords:

  • enantiodiscrimination;
  • fragrances;
  • rotational spectroscopy;
  • stereoisomers;
  • structure–activity relationships
Thumbnail image of graphical abstract

A hint of cassis: By a combination of microwave spectroscopy and quantum chemistry, the gas-phase structures of the Cassyrane stereoisomers and its dihydro derivatives have been determined, and correlated with their olfactory properties. Superposition analyses of the structures (see picture; black Cassyrane, silver Oxane, red O, yellow S) reveal the importance of the 5S configuration on the cassis odor, with the 2S,5R isomers being the most intense.