Structure determination of oleanolic and ursolic acids: a combined DFT/vibrational spectroscopy methodology
Data files
May 12, 2021 version files 1.86 MB
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Raw_data.xlsx
1.86 MB
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.
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.
- Gómez-Pulido, Luz D. M.; González-Cano, Rafael C.; Domínguez, Eva; Heredia, Antonio (2021). Structure determination of oleanolic and ursolic acids: a combined density functional theory/vibrational spectroscopy methodology. Royal Society Open Science. https://doi.org/10.1098/rsos.210162
