Structure determination of oleanolic and ursolic acids: a combined density functional theory/vibrational spectroscopy methodology.
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.
['Gómez-Pulido|Luz D M|LDM|', 'González-Cano|Rafael C|RC|0000-0002-2165-6469', 'Domínguez|Eva|E|', 'Heredia|Antonio|A|']
oleanolic ursolic vibrational spectroscopy DFT