Structural characterization of dimeric indole alkaloids from Psychotria brachybotrya by NMR spectroscopy and theoretical calculations

Abstract Chemical study of Psychotria brachybotrya led to the isolation of a new dimeric tryptamine-related alkaloid, named brachybotryne ( 1 ), and its N -oxide derivative 2 , together with a known compound identified as bufotenine ( 3 ). In order to corroborate the NMR experimental data, a conformational analysis and chemical shifts calculation were carried out for compound 1 .