Fig. 3 in Diplofuranoxin, a disubstituted dihydrofuranone, was produced together with sphaeropsidin A and epi-sphaeropsidone by Diplodia subglobosa, an emerging ash (Fraxinus excelsior L.) pathogen in Europe

Fig. 3. Comparison between experimental ECD spectrum (solid red line) of 1 with calculated ECD spectra [TDDFT/CAM-B3LYP/aug-cc-pvtz/IEFPCM(MeCN)] for (Z) stereoisomers Z-1a,b (blue dashed line) and their enantiomers ent-Z-1a,b (green dashed line). Panel (a) (3Z,5S,7S,8S)-Z-1a; panel (b) (3Z,5S,7S,8R...

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Hauptverfasser: Masi, Marco, Lecce, Roberta Di, Calice, Umberto, Linaldeddu, Benedetto Teodoro, Maddau, Lucia, Superchi, Stefano, Evidente, Antonio
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Sprache:eng
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Zusammenfassung:Fig. 3. Comparison between experimental ECD spectrum (solid red line) of 1 with calculated ECD spectra [TDDFT/CAM-B3LYP/aug-cc-pvtz/IEFPCM(MeCN)] for (Z) stereoisomers Z-1a,b (blue dashed line) and their enantiomers ent-Z-1a,b (green dashed line). Panel (a) (3Z,5S,7S,8S)-Z-1a; panel (b) (3Z,5S,7S,8R)-Z-1b. Conformers population computed at DFT/B3LYP/6–311++G(d,p)/IEFPCM(MeCN) level. For a better spectral comparison computed spectra are shifted of +25 nm. (For interpretation of the references to colour in this figure legend, the reader is referred to the Web version of this article.)
DOI:10.5281/zenodo.8236357