Revision of the Structure of Hypatulone A by NMR, Computations, and Biosynthetic Considerations.

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ID: 79269
2020
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Abstract
Recently, a paper in this journal reported the isolation and structure determination of hypatulone A. Several features of the proposed structure and biosynthesis induced us to reexamine the compound's NMR spectra. Now we propose a revised structure, confirm it with quantum computations, and suggest a reasonable radical-mediated biosynthetic pathway to the revised structure. Our work illustrates how both biosynthetic considerations and quantum computations can complement spectroscopic structure determination.
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yang2020revisionorganic Use this key to autocite in the manuscript while using SciMatic Manuscript Manager or Thesis Manager
Authors Yang, Xing-Wei;Grossman, Robert B;
Journal Organic letters
Year 2020
DOI
10.1021/acs.orglett.9b04666
URL
Keywords
apoptosis triterpenoids hamamelidaceae liquidambaris fructus pi3k-akt pathway

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