Rotational Spectrum and Conformational Analysis of Perillartine: Insights into the Structure–Sweetness Relationship

We used high-resolution rotational spectroscopy coupled to a laser ablation source to study the conformational panorama of perillartine, a solid synthetic sweetener. Four conformers were identified under the isolation conditions of the supersonic expansion, showing that all of them present an E configuration of the C=N group with respect to the double bond of the ring. The observed structures were verified against Shallenberger-Acree-Kier's sweetness theory to shed light on the structure-sweetness relationship for this particular oxime, highlighting a deluge of possibilities to bind the receptor.