Molecular dynamics of ethisterone studied by 1H NMR, IINS and quantum mechanical calculations

The low frequency region in the generalized phonon density of states has been measured for ethisterone by means of neutron scattering. Assignment of the spectral features is facilitated by comparison with results from molecular simulations. The torsional out-of-plane modes of two methyl groups are separated. This finding is consistent with the results of 1H NMR studies.