The axial chirality hidden in vitamin D and its application in cocrystal prediction

The axial chirality of the non-planar conjugated triene in vitamin D 3 was uncovered for the first time. An ECD titration method was used not only for conformational analysis of vitamin D but also for sensitive detection of hydrogen-bonding interaction in solution. It provides a sensitive approach to predict cocrystal formation. An ECD titration method was developed to detect hydrogen-bonding interaction in solution and to predict cocrystal formation in the solid state.