Addressing the Challenges of Structure Elucidation in Natural Products Possessing the Oxirane Moiety

作者:Kutateladze Andrei G*; Kuznetsov Dmitry M; Beloglazkina Anastasiya A; Holt Tina
来源:Journal of Organic Chemistry, 2018, 83(15): 8341-8352.
DOI:10.1021/acs.joc.8b01027

摘要

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, 9 alpha,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.

  • 出版日期2018-8-3