LR-HSQMBC 长程异核相关数据对计算机辅助结构解析的影响。
The impact of LR-HSQMBC very long-range heteronuclear correlation data on computer-assisted structure elucidation.
机构信息
Molecule Apps, LLC, Wilmington, DE 19808, USA.
出版信息
Org Biomol Chem. 2014 Dec 21;12(47):9505-9. doi: 10.1039/c4ob01418a. Epub 2014 Sep 30.
PMID:25268697
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.
摘要
首次评估了 LR-HSQMBC 超长程（n）JCH 异核位移相关数据作为 HMBC 数据补充输入计算机辅助结构解析程序 Structure Elucidator(®) 的效果。该方法使用严重质子缺乏的蒽酮类抗生素 Cervinomycin A2 和生物碱 Staurosporine 作为模型化合物。
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