Fig. 4 in Cytotoxic sesquiterpene lactones from Campuloclinium macrocephalum (=Eupatorium macrocephalum)

Fig. 4 in Cytotoxic sesquiterpene lactones from Campuloclinium macrocephalum (=Eupatorium macrocephalum)

Fig. 4. (Left) Comparison of experimental UV and ECD spectra of ()-1 (black) with calculated (CAM-B3LYP/PCM(MeOH)/TZVP, red) spectra for (6R,7S,8S,9R,10R)-1. (Right) Optimized structures, relative energies and Boltzmann populations of the lowest-energy conformers identified for (6R,7S,8S,9R,10R)-1 a...

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Hauptverfasser: Pereira Cabral, Márcia R., Cecchetto, Mariana, Batista, João M., Batista, Andrea N.L., Foglio, Mary Ann, Tasca Gois Ruiz, Ana Lúcia, Barrotto do Carmo, Marta R., Ferreira da Costa, Willian, Baldoqui, Débora C., Sarragiotto, Maria H.
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Sprache:eng
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Biodiversity
Taxonomy
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Zusammenfassung:Fig. 4. (Left) Comparison of experimental UV and ECD spectra of ()-1 (black) with calculated (CAM-B3LYP/PCM(MeOH)/TZVP, red) spectra for (6R,7S,8S,9R,10R)-1. (Right) Optimized structures, relative energies and Boltzmann populations of the lowest-energy conformers identified for (6R,7S,8S,9R,10R)-1 at the B3LYP/6-31G(d) level. (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.6945046