title: Quantum chemical study of the isomerization of 24-methylenecycloartanol, a potential marker of olive oil refining.
abstract: Quantum chemical calculations on the isomerization of 24-methylenecycloartanol are described. An energetically viable mechanism, with a rate-determining protonation step, is proposed. This rearrangement may find applicability in tests for determining if an olive oil has been refined.
authors: Department of Chemistry, University of California-Davis, Davis, CA, 95616, USA.
authors: Henry B
authors: HB
authors: Wedler
authors: Ryan P
authors: RP
authors: Pemberton
authors: Valère
authors: V
authors: Lounnas
authors: Gert
authors: G
authors: Vriend
authors: Dean J
authors: DJ
authors: Tantillo
authors: Selina C
authors: SC
authors: Wang
mesh_terms: D007536:Isomerism; D008958:Models, Molecular; D031658:Olea / Q000737:chemistry*; D000069463:Olive Oil / Q000737:chemistry* / Q000302:isolation & purification; D011789:Quantum Theory; D014315:Triterpenes / Q000737:chemistry*
chemical_list: C405143:24-methylenecycloartenol; D000069463:Olive Oil; D014315:Triterpenes