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Novitskiy IM, Kutateladze AG. DU8+ Computations Reveal a Common Challenge in the Structure Assignment of Natural Products Containing a Carboxylic Anhydride Moiety. J Org Chem. 2021;86(23):17511-17515doi: 10.1021/acs.joc.1c02291.
Novitskiy, I. M., & Kutateladze, A. G. (2021). DU8+ Computations Reveal a Common Challenge in the Structure Assignment of Natural Products Containing a Carboxylic Anhydride Moiety. The Journal of organic chemistry, 86(23), 17511-17515. https://doi.org/10.1021/acs.joc.1c02291
Novitskiy, Ivan M, and Kutateladze, Andrei G. "DU8+ Computations Reveal a Common Challenge in the Structure Assignment of Natural Products Containing a Carboxylic Anhydride Moiety." The Journal of organic chemistry vol. 86,23 (2021): 17511-17515. doi: https://doi.org/10.1021/acs.joc.1c02291
Novitskiy IM, Kutateladze AG. DU8+ Computations Reveal a Common Challenge in the Structure Assignment of Natural Products Containing a Carboxylic Anhydride Moiety. J Org Chem. 2021 Dec 03;86(23):17511-17515. doi: 10.1021/acs.joc.1c02291. Epub 2021 Nov 08. PMID: 34743508.
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J Org Chem. 2021 Dec 03;86(23):17511-17515. doi: 10.1021/acs.joc.1c02291. Epub 2021 Nov 08.

DU8+ Computations Reveal a Common Challenge in the Structure Assignment of Natural Products Containing a Carboxylic Anhydride Moiety.

The Journal of organic chemistry

Ivan M Novitskiy, Andrei G Kutateladze

Affiliations

  1. Department of Chemistry and Biochemistry, University of Denver, Denver, Colorado 80210, United States.

PMID: 34743508 DOI: 10.1021/acs.joc.1c02291

Abstract

DU8+ computations of NMR spectra revealed a relatively common error in the structure assignment of carboxylic anhydride-containing natural products. Computationally driven revisions of ten of these structures are reported in this Note. The majority of the misassigned structures featured a hydroxy group that is proximal to the proposed anhydride moiety and capable of lactone formation.

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