Radical mediated deoxygenation of inositol benzylidene acetals: conformational analysis, DFT calculations, and mechanism

► DFT calculations reveal relative stabilities of conformers of inositol 1,3-acetals. ► Relative stability of conformers provide insight into mechanism of deoxygenation. ► Deoxygenation of myo- and neo-xanthates proceeds through a common transition state.