The impact of LR-HSQMBC very long-range heteronuclear correlation data on computer-assisted structure elucidationElectronic supplementary information (ESI) available: Structure Elucidator® output file for the various types of long-range and very long-range heteronuclear shift correlation data used as program input. See DOI: 10.1039/c4ob01418a

The impact of LR-HSQMBC very long-range n J CH heteronuclear shift correlation data as a supplement to HMBC data as input for the computer-assisted structure elucidation program, Structure Elucidator ® , is assessed for the first time. The severely proton-deficient xanthone antibiotic cervinomycin A 2 and the alkaloid staurosporine were employed as a model compounds. The impact of LR-HSQMBC very long-range n J CH heteronuclear shift correlation data as a supplement to HMBC data as input for the computer-assisted structure elucidation program, Structure Elucidator ® , is assessed for the first time.