TOCSY, hydrogen decoupling and computational calculations to an unequivocal structural elucidation of a new sesquiterpene derivative and identification of other constituents from Praxelis sanctopaulensis.
Débora L O AraújoAnderson V G RamosJoão V DaufembackMaria E V de SouzaBeatriz Pereira MorenoCleverton S FernandesAna Paula LopesAlana C BattistellaErnani Abicht BassoJesuí Vergilio VisentainerTatiana S TiumanSolange M CotticaMarta Regina Barrotto do CarmoMaria Helena SarragiottoDebora Cristina BaldoquiPublished in: Phytochemical analysis : PCA (2021)
Forty-seven compounds are described from P. sanctopaulensis. The combination of different techniques of nuclear magnetic resonance (NMR) spectroscopy and computational calculations allowed the unequivocal structure elucidation of a new cadinene. The clustering analysis showed similarities between the flavonoids identified in P. sanctopaulensis and in Chromolaena species.