The potential of VCD to resolve the epimer vs. inverse epimer quandary

摘要: Abstract The determination of whether two stereoisomers constitute a pair epimers or if they differ in their configuration at all stereogenic centers bar one can be formidable challenge and represent problem greater complexity than just absolute per se. latter case has been defined as inverse is exemplified by the naturally occurring compounds alnumycins A1–3. potential vibrational circular dichroism (VCD) for discerning between pairs considered principle alnumycin A1 C-1 epimer A1α ( ent -A1β) DFT-calculated spectra obtained M06-2X/6-31G(d) level theory. It was concluded that application holds much promise task hand overcome shortcomings associated with other techniques, particular respect to limited generality.