Spectroscopic methods and theoretical studies of bromoacetic substituted derivatives of bile acids

Abstract

The structure of seven bromoacetyl substituted derivatives of bile acids have been characterized by 1 H MMR, 13 C NMR, 2D NMR, FT-IR and mass spectrometry (ESI-MS) as well as PM5 semiempirical and B3LYP ab initio methods. Estimation of the pharmacotherapeutic potential has been accomplished for the synthesized compounds on the basis of Prediction of Activity Spectra for Substances (PASS).