理论预测的结构修改的正确结构的水化物实验验证
Michael W Lodewyk1, Cristian Soldi, Paul B Jones
1Department of Chemistry, University of California, Davis, 95616, United States.
Journal of the American Chemical Society
|October 30, 2012
概括
从其自然来源中重新分离出水化物. 它的化学结构使用先进的量子化学NMR计算,实验性NMR分析和晶体学进行了修订.
科学领域:
- 自然产品化学 自然产品化学
- 结构化解化 结构化解化
- 计算化学计算化学
背景情况:
- 水胺是一种具有潜在生物活性的天然产品.
- 以前的水化物结构分配可能需要修订.
研究的目的:
- 从其自然来源重新隔离水化物.
- 彻底修改水化物的结构.
- 用多种分析技术验证修订后的结构.
主要方法:
- 从其自然来源重新隔离水化物.
- 核磁共振 (NMR) 光谱 (实验和量子化学计算).
- 一个X射线晶体学.
主要成果:
- 酸被成功重新隔离出来.
- 根据光谱和结晶学数据,修订了水化物结构.
- 量子化学NMR计算支持了修订后的结构分配.
结论:
- 现在,aquatolide的修订结构已经最终确定.
- 这项研究提供了更准确的了解水化物的化学性质.
- 采用的方法提供了一个强大的方法来阐明天然产品的结构.
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