title: The structural elucidation of a novel iridoid derivative from Tachiadenus longiflorus (Gentianaceae) using the LSD programme and quantum chemical computations.
abstract: Oleanolic acid, scoparone, scopoletin and a novel iridoid derivative, angelone, were isolated from Tachiadenus longiflorus (Gentianaceae). The structure of angelone was determined from NMR data, given as input to the Logic for Structure Determination Programme, and was finally confirmed by comparison of experimental 13C-NMR chemical shifts with those obtained by quantum mechanical calculations.
authors.affiliation: Natural Products Research Group, School of Chemistry, University of KwaZulu-Natal, Durban 4041, South Africa.
authors.forename: D A
authors.initials: DA
authors.lastname: Mulholland
authors.forename: A
authors.initials: A
authors.lastname: Langlois
authors.forename: M
authors.initials: M
authors.lastname: Randrianarivelojosia
authors.forename: E
authors.initials: E
authors.lastname: Derat
authors.forename: J M
authors.initials: JM
authors.lastname: Nuzillard
mesh_terms: D029965:Gentianaceae / Q000737:chemistry*; D039823:Iridoids / Q000737:chemistry*; D015394:Molecular Structure; D024301:Plant Bark / Q000737:chemistry; D018547:Plant Stems / Q000737:chemistry; D011753:Pyrones / Q000737:chemistry*; D012984:Software
chemical_list: D039823:Iridoids; D011753:Pyrones; C511121:angelone