乙烯二醇模糊性:氧化天然产品结构释中的一个不显而易见的问题
Brodie W Bulcock1, Rachel Chen2, Ernest Lacey2
1School of Molecular Sciences, The University of Western Australia, Crawley, WA 6009, Australia.
Journal of natural products
|August 12, 2024
概括
由于质谱和NMR相似之处,研究人员经常错误地识别天然产品中的和二醇. 这项研究修订了15种天然产品结构,并引入了硫化方法,用于精确的乙醇-二醇分化.
科学领域:
- 自然产品化学 自然产品化学
- 有机化学 有机化学
- 频谱学是一种光谱学.
背景情况:
- 由于类似的质谱和NMR光谱,在结构阐明中,三级和合醇可以被误认为是以太.
- 这种模两可可能导致二醇部分的错误分配,影响自然产品结构的准确性.
- 这一问题是在研究来自类植物* sp. 的氧化类类体时遇到的. 这是一种真菌菌株.
研究的目的:
- 为了解决在自然产品结构阐明中存在的以太二醇模两可的问题.
- 修改15种受这种模糊性影响的天然产品的结构.
- 建立一种可靠的方法来区分复杂混合物中的酒精和乙醇.
主要方法:
- 对具有三级或基基组的氧化天然产品的文献综述.
- 密度函数理论 (DFT) 对结构分析的NMR化学转移的计算.
- 开发和应用一种硫化衍生物化技术,用于酒精.
- 液体染色学-负离子喷射电离离子化质谱学 (LC-(-) -ESI-MS) 用于分析衍生化合物.
- 从*Fusarium* sp.中分离和表征林格诺伦/气旋二醇. 文化. 文化. 在文化.
主要成果:
- 15个自然产品结构因以太二醇分配错误而需要修订.
- 通过使用硫化酒精,其次是LC-(-) -ESI-MS的新方法,建立了一个新方法来区分酒精和乙醇.
- 从*Fusarium* sp.中分离出来的lignoren/cyclonerodiol的身份 通过硫化方法证实是环二醇.
结论:
- 乙二醇的模糊性是自然产品结构阐明的一个重大和潜在的广泛挑战.
- 补充分析技术,包括硫化衍生与LC-(-) -ESI-MS和DFTNMR计算,对于准确的结构确定至关重要.
- 已建立的硫化方法提供了一种可靠的手段,以解决自然产品微小分子量中的乙太二醇模两可.
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