Inclusion complex of astaxanthin with hydroxypropyl-β-cyclodextrin: UV, FTIR, 1H NMR and molecular modeling studies

► Structure and complex mode of the inclusion complex were investigated. ► Hexatomic ring of the astaxanthin was included into the cyclodextrin cavities. ► Complexation could reduce the energy of the system. ► The complex of 2:1 host-guest stoichiometry should be the most predominant configuration.