Characterization of Eight Novel Spiroleptosphols from Fusarium avenaceum.

Klaus Ringsborg WestphalManuela Ilse Helga WernerKatrine Amalie Hamborg Nielsen Jens Laurids Sørensen Valery AndrushchenkoJacob WindeMorten HertzMikkel Astrup JensenMathilde Lauge MortensenPetr BouřTeis Esben SondergaardReinhard Wimmer

Published in: Molecules (Basel, Switzerland) (2019)

Chemical analyses of Fusarium avenaceum grown on banana medium resulted in eight novel spiroleptosphols, T1, T2 and U-Z (1-8). The structures were elucidated by a combination of high-resolution mass spectrometric data and 1- and 2-D NMR experiments. The relative stereochemistry was assigned by 1H coupling and NOESY/ROESY experiments. Absolute stereochemistry established for 7 by vibrational circular dichroism was found analogous to that of the putative polyketide spiroleptosphol from Leptosphaeria doliolum.

Keyphrases

high resolution
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mass spectrometry
density functional theory
molecular dynamics simulations
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room temperature
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tandem mass spectrometry
energy transfer
machine learning
data analysis
molecular dynamics
deep learning
plant growth
solid state