Abstract
Density functional theory calculations of 1H and 13C chemical shifts are used to assign the relative configurations of isohirsut-1-ene, isohirsut-4-ene and tsukubadiene, three terpenes previously isolated from an engineered Streptomyces.
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Acknowledgements
We gratefully acknowledge support from the US National Science Foundation (CHE-1361807 and CHE030089 (XSEDE program)). This work is dedicated to David Cane, an inspiration to mechanistically inclined natural products chemists and natural product-loving mechanistic chemists alike!
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Nguyen, Q., Tantillo, D. Using quantum chemical computations of NMR chemical shifts to assign relative configurations of terpenes from an engineered Streptomyces host. J Antibiot 69, 534–540 (2016). https://doi.org/10.1038/ja.2016.51
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DOI: https://doi.org/10.1038/ja.2016.51
