title: Spectroscopic methods and theoretical studies of bromoacetyl substituted derivatives of bile acids.
abstract: The structure of seven bromoacetic substituted derivatives of bile acids are characterized by 1H MMR, 13C 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).
authors.forename: Tomasz
authors.initials: T
authors.lastname: Pospieszny
authors.forename: Hanna
authors.initials: H
authors.lastname: Koenig
authors.forename: Iwona
authors.initials: I
authors.lastname: Kowalczyk
authors.forename: Bogumił
authors.initials: B
authors.lastname: Brycki
mesh_terms: D001647:Bile Acids and Salts / Q000138:chemical synthesis / Q000737:chemistry*; D002236:Carbohydrate Conformation; D006842:Hydrocarbons, Brominated / Q000737:chemistry*; D009682:Magnetic Resonance Spectroscopy; D013058:Mass Spectrometry; D011789:Quantum Theory; D017550:Spectroscopy, Fourier Transform Infrared
chemical_list: D001647:Bile Acids and Salts; D006842:Hydrocarbons, Brominated