Addressing the Challenges of Structure Elucidation in Natural Products Possessing the Oxirane Moiety,The Journal of Organic Chemistry

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Addressing the Challenges of Structure Elucidation in Natural Products Possessing the Oxirane Moiety
The Journal of Organic Chemistry ( IF 3.3 ) Pub Date : 2018-06-18 00:00:00 , DOI: 10.1021/acs.joc.8b01027
Andrei G. Kutateladze ₁ , Dmitry M. Kuznetsov ₁ , Anastasiya A. Beloglazkina ₁ , Tina Holt ₁

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NMR data for natural products containing the epoxy moiety have been revisited and reanalyzed with the help of a recently developed parametric/DFT hybrid computational method, DU8+. More than 20 structures needed revision, which points to challenges in NMR solution structure assignment for molecules possessing this structural feature. Among the revised structures are achicretin 2, acremine P, aromaticane I, artanomalide B, botryosphaerihydrofuran, chloroklotzchin, crithmifolide, crotodichogamoin A, emervaridone C, 9α,15-epoxyafricanane, fischambiguine B, grandilobalide B, guaianolide A, guatterfriesols A and B, juncenolide G, roscotane D, secoafricane 7, taccalonolides AJ and AF, and related compounds.

中文翻译：

应对具有环氧乙烷基团的天然产物中结构阐明的挑战

在最近开发的参数/ DFT混合计算方法DU8 +的帮助下，对含环氧部分的天然产物的NMR数据进行了重新分析。需要修改20多个结构，这指出了具有这种结构特征的分子在NMR溶液结构分配中所面临的挑战。在修订的结构中，有阿奇瑞汀2，顶峰胺P，芳烃I，青蒿内酯B，葡萄球菌氢呋喃，氯klotzchin，criithmifolide，crotodichogamoin A，Emervaridone C，9α，15-环氧非洲ric烷，fischambiguine B，grandilobalide B，guaianolide a， G，roscotane D，cocoafricane 7，他克洛诺利德AJ和AF以及相关化合物。

更新日期：2018-06-18

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