title: The impact of LR-HSQMBC very long-range heteronuclear correlation data on computer-assisted structure elucidation.
abstract: The impact of LR-HSQMBC very long-range (n)JCH 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 A2 and the alkaloid staurosporine were employed as a model compounds.
authors.affiliation: Molecule Apps, LLC, Wilmington, DE 19808, USA.
authors.forename: K A
authors.initials: KA
authors.lastname: Blinov
authors.forename: A V
authors.initials: AV
authors.lastname: Buevich
authors.forename: R T
authors.initials: RT
authors.lastname: Williamson
authors.forename: G E
authors.initials: GE
authors.lastname: Martin
mesh_terms: D018943:Anthracyclines / Q000737:chemistry*; D000900:Anti-Bacterial Agents / Q000737:chemistry*; D017076:Computer-Aided Design; D009682:Magnetic Resonance Spectroscopy; D011522:Protons; D012984:Software; D019311:Staurosporine / Q000737:chemistry*; D044004:Xanthones / Q000737:chemistry*
chemical_list: D018943:Anthracyclines; D000900:Anti-Bacterial Agents; D011522:Protons; D044004:Xanthones; C035628:cervinomycin A2; C009689:xanthone; D019311:Staurosporine