The impact of LR-HSQMBC very long-range heteronuclear correlation data on computer-assisted structure elucidation

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 A...

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Bibliographic Details
Published in:Organic & biomolecular chemistry 2014-12, Vol.12 (47), p.9505-9509
Main Authors: Blinov, K A, Buevich, A V, Williamson, R T, Martin, G E
Format: Article
Language:English
Subjects:
Anthracyclines - chemistry
Anti-Bacterial Agents - chemistry
Computer-Aided Design
Magnetic Resonance Spectroscopy
Protons
Software
Staurosporine - chemistry
Xanthones - chemistry
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Summary: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.
ISSN:1477-0520
1477-0539
DOI:10.1039/c4ob01418a