Two-Dimensional Proton J-Resolved NMR Spectroscopy of Neomycin B
Two-Dimensional Proton J-Resolved NMR Spectroscopy of Neomycin B
复制标题
新霉素 B 的二维质子 J 分辨核磁共振谱
DOI：
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发表时间：
1984
期刊：
影响因子：
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通讯作者：
B. Coxon
中科院分区：
文献类型：
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作者：
R. Botto;B. Coxon
摘要新霉素B游离碱（结构1）在D2 O中的溶液的~ 1H NMR谱已通过二维、homologous J-分辨NMR谱和400 MHz的自旋去偶完全归属。本文报道了新霉素B中所有糖苷残基的质子化学位移和质子-质子偶合反应，并附有沿着计算机模拟光谱。通过质子偶合常数和化学位移的分析，确定抗生素（1b）的2，6-二氨基-2，6-二脱氧-β-l-吡喃艾杜糖基（D环）为4C 1椅式构象。核糖基部分（环C）的β-呋喃糖形式已被指定。邻位质子耦合的2-脱氧streptaminyl基团（环B）是一致的椅子构象，其中所有的环取代基是赤道，质子化学位移分配质子化研究的基础上。计算机模拟合成的个人计算光谱与新霉素B的实验光谱进行比较。
Abstract The 1H NMR spectrum of a solution of neomycin B free base (Structure 1) in D2O has been assigned completely by two-dimensional, homonuclear J-resolved NMR spectroscopy and spin decoupling at 400 MHz. Proton chemical shifts and proton-proton couplings are reported for all glycoside residues in neomycin B along with their computer simulated spectra. The 4 C 1 chair conformation has been assigned to the 2,6-diamino-2,6-dideovy-β-l-idopyranosyl (ring D) portion of the antibiotic (1b) by analysis of the proton coupling constants and chemical shifts. The β-furanose form of the ribosyl portion (ring C) has been assigned. Vicinal proton couplings for the 2-deoxystreptaminyl group (ring B) are consistent with a chair conformation in which all ring substituents are equatorial, and proton chemical shift assignments are based on protonation studies. A computer simulated composite of the individual calculated spectra is presented for comparison with the experimental spectrum of neomycin B.