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Search for "DFT-based calculation" in Full Text gives 1 result(s) in Beilstein Journal of Organic Chemistry.
Beilstein J. Org. Chem. 2020, 16, 1100–1110, doi:10.3762/bjoc.16.97
Graphical Abstract
Figure 1: Structures of pseudosporamide (1) and pseudosporamicins A–C (2–4).
Figure 2: COSY, key HMBC and ROESY correlations of pseudosporamide (1).
Figure 3: 1H NMR ΔδS−R values for PGME amides 5a and 5b obtained from compound 1.
Figure 4: The opposite axial chirality around the biaryl C-6–C-7'' bond influenced by the C-2 configuration i...
Figure 5: The experimental and calculated ECD spectra in MeCN.
Figure 6: COSY, key HMBC and NOESY correlations of compound 2.
Figure 7: NOESY correlations for the spiroacetal moiety of compound 2.
Figure 8: Selected examples of oligomycin-class metabolites from actinomycetes.