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.
| Original language | English |
|---|---|
| Pages (from-to) | 760-763 |
| Number of pages | 4 |
| Journal | Organic Letters |
| Volume | 22 |
| Issue number | 2 |
| DOIs | |
| State | Published - Jan 17 2020 |
Bibliographical note
Publisher Copyright:© 2020 American Chemical Society.
ASJC Scopus subject areas
- Biochemistry
- Physical and Theoretical Chemistry
- Organic Chemistry