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The Use of a Combination of RDC and Chiroptical Spectroscopy for Determination of the Absolute Configuration of Fusariumin A from the Fungus Fusarium sp |
| Liang-Yan Liu1, Han Sun2,3, Christian Griesinger2, Ji-Kai Liu4 |
1. College of Agronomy and Biotechnology, Yunnan Agricultural University, Kunming 650201, China;
2. Department of NMR-based Structural Biology, Max-PlanckInstitute of Biophysical Chemistry, Am Fassberg 11, 37077 G?ttingen, Germany;
3. Leibniz-Institut für Molekulare Pharmakologie, 13125 Berlin, Germany;
4. School of Pharmaceutical Sciences, South-Central University for Nationalities, Wuhan 430074, China |
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Abstract A new alkylpyrrole derivative, fusariumin A (1), was isolated from the culture broth of the fungus Fusarium sp. The absolute configuration of fuasiumin A has been established as (2'R,3'R) using a combination of RDC (residual dipolar coupling)-based NMR and DFT-supported chiroptical spectroscopy. It is worth to note that in this study without the aid of the RDC analysis, an unambiguous determination of configuration and conformation was not feasible due to the excessive conformational possibilities of this open-chain compound.
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| Keywords
NMR
Residual dipolar coupling
Relative configuration
Absolute configuration
Chiroptics
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| Fund:Support by the National Natural Science Foundation of China (U1132607) to J.K.L.and the DFG (Forschergruppe FOR 934) to C.G.as well as the Chinese/German foundation (GZ1104) to H.S.and C.G.is acknowledged |
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Issue Date: 08 February 2018
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