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dc.contributor.authorNdukwe, Ikenna E.
dc.contributor.authorLam, Yu-hong
dc.contributor.authorPandey, Sunil Kumar
dc.contributor.authorHaug, Bengt Erik
dc.contributor.authorBayer, Annette
dc.contributor.authorSherer, Edward C.
dc.contributor.authorBlinov, Kirill A.
dc.contributor.authorWilliamson, R. Thomas
dc.contributor.authorIsaksson, Johan
dc.contributor.authorReibarkh, Mikhail
dc.contributor.authorLiu, Yizhou
dc.contributor.authorMartin, Gary E.
dc.date.accessioned2021-01-22T13:42:00Z
dc.date.available2021-01-22T13:42:00Z
dc.date.issued2020-09-21
dc.description.abstractStructural features of proton-deficient heteroaromatic natural products, such as the breitfussins, can severely complicate their characterization by NMR spectroscopy. For the breitfussins in particular, the constitution of the five-membered oxazole central ring cannot be unequivocally established via conventional NMR methods when the 4′-position is halogenated. The level of difficulty is exacerbated by 4′-iodination, as the accuracy with which theoretical NMR parameters are determined relies extensively on computational treatment of the relativistic effects of the iodine atom. It is demonstrated in the present study, that the structure of a 4′-iodo breitfussin analog can be unequivocally established by anisotropic NMR methods, by adopting a reduced singular value decomposition (SVD) protocol that leverages the planar structures exhibited by its conformers.en_US
dc.identifier.citationNdukwe, Lam, Pandey, Haug, Bayer, Sherer, Blinov, Williamson, Isaksson, Reibarkh, Liu, Martin. Unequivocal structure confirmation of a breitfussin analog by anisotropic NMR measurements. Chemical Science. 2020;11(44):12081-12088en_US
dc.identifier.cristinIDFRIDAID 1831369
dc.identifier.doi10.1039/d0sc03664a
dc.identifier.issn2041-6520
dc.identifier.issn2041-6539
dc.identifier.urihttps://hdl.handle.net/10037/20397
dc.language.isoengen_US
dc.publisherRoyal Society of Chemistryen_US
dc.relation.journalChemical Science
dc.relation.projectIDinfo:eu-repo/grantAgreement/RCN/BIOTEK2021/224790/Norway/-Driven Synthesis - frBiologyom Marine Natural Products to Commercial Lead Compounds Kilde: ForskningsrådetBiology-Driven Synthesis - from Marine Natural Products to Commercial Lead Compounds//en_US
dc.rights.accessRightsopenAccessen_US
dc.rights.holderCopyright 2020 The Author(s)en_US
dc.subjectVDP::Mathematics and natural science: 400::Chemistry: 440en_US
dc.subjectVDP::Matematikk og Naturvitenskap: 400::Kjemi: 440en_US
dc.titleUnequivocal structure confirmation of a breitfussin analog by anisotropic NMR measurementsen_US
dc.type.versionpublishedVersionen_US
dc.typeJournal articleen_US
dc.typeTidsskriftartikkelen_US
dc.typePeer revieweden_US


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