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

Authors

  • Tomasz Pospieszny Adam Mickiewicz University
  • Hanna Koenig
  • Iwona Kowalczyk
  • Bogumił Brycki

DOI:

https://doi.org/10.17344/acsi.2014.608

Keywords:

Bile acids, bromoacetic substituted derivatives, Prediction of Activity Spectra for Substances, spectroscopic methods, PM5 and B3LYP calculations

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).

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Published

13.01.2015

Issue

Vol. 62 No. 1 (2015)

Section

Organic chemistry

License

Except where otherwise noted, articles in this journal are published under the Creative Commons Attribution 4.0 International License