6533b827fe1ef96bd1286e34

RESEARCH PRODUCT

Multinuclear magnetic resonance, electrospray ionization time-of-flight mass spectral and molecular modelling characterization of lithocholic acid amide esters with various nitrogen heterocycles

Jari TamminenElina VirtanenReijo KauppinenPia MänttäriMervi HaapalaErkki Kolehmainen

subject

Lithocholic acidElectrospray ionizationchemistry.chemical_elementGeneral ChemistryCarbon-13 NMRNitrogenchemistry.chemical_compoundTime of flightPiperazinechemistryAmideProton NMROrganic chemistryGeneral Materials Science

description

1H, 13C and 15N NMR and electrospray ionization time-of-flight mass spectrometric characterizations of five lithocholate esters of piperazine diamides are described. Two of them are cholaphane-type cyclic structures esterified with 2,2′-bipyridine-4,4 ′ - and pyridine-2,6-dicarboxylic acid and the other three esters are open structures comprising two or four lithocholyl residues. The conformational preferences of the dimeric congeners were examined by using molecular modelling and variable-temperature 1H NMR techniques. Copyright © 2003 John Wiley & Sons, Ltd.

https://doi.org/10.1002/mrc.1218