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Updated: Feb 8, 2026

Mass Spectrometry-Guided Genome Mining as a Tool to Uncover Novel Natural Products
Published on: March 12, 2020
Addressing the Challenges of Structure Elucidation in Natural Products Possessing the Oxirane Moiety
Andrei G Kutateladze1, Dmitry M Kuznetsov1, Anastasiya A Beloglazkina1
1Department of Chemistry and Biochemistry , University of Denver , Denver , Colorado 80208 , United States.
Abstract:
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.
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