Characterization of the fraction components using 1D TOCSY and 1D ROESY experiments. Four new spirostane saponins from <i>Agave brittoniana</i> Trel. spp. <i>Brachypus</i>

Abstract

A careful NMR analysis, especially 1D TOCSY and 1D ROESY, of two refined saponin fractions allowed us to determine the structures of four new saponins from a polar extract of the Agave brittoniana Trel. spp. Brachypus leaves. A full assignment of the 1H and 13C spectral data for these new saponins, agabrittonosides A-D (1-4), and one previously known saponin, karatavioside A (5) is reported. Their structures were established using a combination of 1D and 2D (1H, 1H-COSY, TOCSY, ROESY, g-HSQC, g-HMBC and g-HSQC-TOCSY) NMR techniques and ESI-MS. Moreover, the work represents a new approach to structural elucidation of saponins in refined fractions by NMR investigations.