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Structure determination of oleanolic and ursolic acids: a combined DFT/vibrational spectroscopy methodology

Citation

Gómez-Pulido, Luz Divina María; González-Cano, Rafael; Domínguez Carmona, Eva María; Heredia Bayona, Antonio (2021), Structure determination of oleanolic and ursolic acids: a combined DFT/vibrational spectroscopy methodology, Dryad, Dataset, https://doi.org/10.5061/dryad.5mkkwh74x

Abstract

Raw samples of oleanolic and ursolic acids, a class of terpenoid acids mainly found in the leaf and fruit cuticles of some plant species, can be defined as a blend of clusters of different conformers aggregated in dimers and tetramers by means of hydrogen bonds and stabilized by non-electrostatic interactions.

Usage Notes

This file contains the raw dataset for Figure 2, Figure 3, Figure 8, Figure S3, Figure S5, Figure S7, Figure S9 and Figure S10 of the associated article and its electronic supplementary material.