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RESEARCH PRODUCT
3α,3′α-Bis(n-acetoxyphenylcarboxy)-5β-cholan-24-oic acid ethane-1,2-diol diesters (n = 2-4):13C NMR chemical shifts, variable-temperature and NOE1H NMR measurements and MO calculations of novel bile acid-based dimers
Jari TamminenPia MänttäriHannu SaloJuha LinnantoErkki Kolehmainensubject
Lithocholic acidBile acidStereochemistrymedicine.drug_classChemical shiftDiolNuclear magnetic resonance spectroscopy of nucleic acidsGeneral ChemistryCarbon-13 NMRchemistry.chemical_compoundchemistryDesorptionmedicineGeneral Materials ScienceMolecular orbitaldescription
Three novel bile acid-based molecular dimers, 3α,3′α-bis(n-acetoxyphenylcarboxy)-5β-cholan-24-oic acid ethane-1,2-diol diesters (n = 2–4), 1–3, were synthesized from lithocholic acid (3α-hydroxy-5β-cholan-24-oic acid) ethane-1,2-diol diester and isomeric n-acetoxybenzoyl chlorides (n = 2–4). Their cleft type conformational preferences were suggested theoretically by PM3 molecular orbital calculations. Molecular weights determined by the matrix-assisted laser desorption/ionization time-of-flight technique and 13C NMR chemical shifts of the 1–3 are also presented. Copyright © 2000 John Wiley & Sons, Ltd.
| year | journal | country | edition | language |
|---|---|---|---|---|
| 2000-01-01 | Magnetic Resonance in Chemistry |