Rotational Spectrum and Conformational Analysis of Perillartine: Insights into the Structure–Sweetness Relationship |
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Authors: | Gabriela Jurez Miguel Sanz-Novo Jos L Alonso Elena R Alonso Iker Len |
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Institution: | Grupo de Espectrocopía Molecular (GEM), Edificio Quifima, Laboratorios de Espectroscopia y Bioespectroscopia, Unidad Asociada CSIC, Parque Científico UVa, Universidad de Valladolid, 47011 Valladolid, Spain; (G.J.); (M.S.-N.); (J.L.A.); (E.R.A.) |
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Abstract: | 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. |
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Keywords: | perillartine high-intensity sweetener Fourier transform microwave spectroscopy Shallenberger– Acree– Kier theory |
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