Detailed 1H and 13C NMR structural assignment and relative stereochemistry determination for three new and one known semi-synthetic sesquiterpene lactones

In this work is described a complete 1H and 13C NMR analysis for a group of four sesquiterpene lactones, three previously unknown. The unequivocal assignments were achieved by 1H NMR, 13C{1H} NMR, J-resolved, gCOSY, gHMQC, gHMBC and NOESY experiments and no ambiguities were left behind. All hydrogen coupling constants were measured, clarifying all hydrogen signals multiplicities.

► 1H and 13C NMR data for four semisynthetic sesquiterpene lactones. ► Full assignment of NMR data, including chemical shift and constant couplings. ► NOE, constant couplings and theoretical calculations to determine stereochemistry.