Published June 8, 2024
| Version v1
Dataset
Open
Polyketide-terpene hybrids from Pseudoxylaria
Authors/Creators
-
1.
Helmholtz Institute for Pharmaceutical Research Saarland
Description
This datasets contains data related to xylasporin derivatives. Extensive comparative spectrometric (HRMS2) and spectroscopic (1D and 2D NMR) studies allowed to determine the relative configuration across the xylasporin family, which was supported by chemical shift calculations of more than 50 stereoisomers and DP4+ probability analyses. The absolute configuration of xylasporin A (1) was also proposed based on TDDFT-ECD calculations. Additionally, we were able to revise the relative and absolute configurations of co-secreted xylacremolide B produced by single x-ray crystallography
Files
Calculations_data_compound_1_6.zip
Files
(2.2 GB)
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