title: The Use of a Combination of RDC and Chiroptical Spectroscopy for Determination of the Absolute Configuration of Fusariumin A from the Fungus Fusarium sp.
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.
authors.affiliation: College of Agronomy and Biotechnology, Yunnan Agricultural University, Kunming, 650201, China.
authors.forename: Liang-Yan
authors.initials: LY
authors.lastname: Liu
authors.affiliation: Department of NMR-based Structural Biology, Max-Planck-Institute of Biophysical Chemistry, Am Fassberg 11, 37077, Göttingen, Germany.|Leibniz-Institut für Molekulare Pharmakologie, 13125, Berlin, Germany.
authors.forename: Han
authors.initials: H
authors.lastname: Sun
authors.affiliation: Department of NMR-based Structural Biology, Max-Planck-Institute of Biophysical Chemistry, Am Fassberg 11, 37077, Göttingen, Germany. cigr@nmr.mpibpc.mpg.de.
authors.forename: Christian
authors.initials: C
authors.lastname: Griesinger
authors.affiliation: School of Pharmaceutical Sciences, South-Central University for Nationalities, Wuhan, 430074, China. jkliu@mail.kib.ac.cn.
authors.forename: Ji-Kai
authors.initials: JK
authors.lastname: Liu
keywords: Absolute configuration; Chiroptics; NMR; Relative configuration; Residual dipolar coupling