Oligomycins B and C: complete ab initio assignments of their 1H and 13C NMR spectra and a study of their conformations in solution
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Add time:08/23/2019 Source:sciencedirect.com
Self-consistent, full assignments of the 1H and 13C NMR spectra are reported for the macrocyclic antibiotics oligomycin-B and -C. Solution conformations, deduced from proton–proton and proton–carbon-13 coupling constants as well as from chemical shift considerations, are compared with X-ray data. While coupling data are compatible with a fair degree of similarity between the overall conformations in the solid and solution states, small but definite differences are apparent in the “northern” part of the macrocycle (C-6 to C-12) of oligomycin-B. On the other hand, conformational differences, relative to the same region, have been detected between oligomycin-B and oligomycin-C in solution; this is likely due to steric crowding between bulky substiuents at C-9 and C-12 in oligomycin-B.
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