RT journal article
T1 Features in the NMR spectra of the aglycones of Agave spp. saponins. HMBC method for aglycone identification (HMAI)
A1 Simonet Morales, Ana María
A1 García Durán, Alexandra
A1 Pérez, Andy J.
A1 Macías Domínguez, Francisco Antonio
A2 Química Orgánica
K1 13C-NMR
K1 1H-NMR
K1 Agave
K1 aglycone
K1 HMAI
K1 HMBC
K1 identification
K1 saponin
AB Introduction: The analysis and detection of steroidal saponins is mainly performedusing chromatographic techniques coupled with mass spectrometry. However,nuclear magnetic resonance (NMR) spectroscopy is a potential tool that can be combinedwith these techniques to obtain unambiguous structural characterisation.Objective: This work provides a review of the carbon-13 (13C)- and proton (1H)-NMRspectroscopic data of aglycones from Agave saponins reported in the literature andalso the development of an easy identification method for these natural products.Methods: The database Scifinder was used for spectroscopic data collection in additionto data obtained from the Cadiz Allelopathy research group. The keywords usedwere Agave, spirostanic, furostanic, and saponin.Results: The shielding variations produced by functional groups on the aglycone coreand the structural features of the most representative aglycones from Agave speciesare described. The effects are additive for up to four long-range connectivities. Amethod for the identification of aglycones (HMAI) is proposed to classify aglyconesfrom Agave spp. through the use of 1H-NMR and heteronuclear multiple bond correlation(HMBC) experiments.Conclusions: The HMBC spectrum is representative of the structural features of aglyconesfrom Agave spp. The HMBC method for aglycone identification (HMAI) methodallowed the identification of pure saponins or mixtures thereof and this method can beused in combination with chromatographic techniques coupled with mass spectrometryto provide a more thorough analysis of Agave samples that contain aglycones.
PB Wiley
SN 1099-1565
YR 2021
FD 2021-01
LK http://hdl.handle.net/10498/29953
UL http://hdl.handle.net/10498/29953
LA eng
DS Repositorio Institucional de la Universidad de Cádiz
RD 07-nov-2026