文摘
The thermodynamic ionization constants(pKa1,pKa2, andpKa3) of ginkgolide B(9H-1,7a-(epoxymethano)-1H,6aH-cyclopenta[c]furo[2,3-b]furo-[3',2':3,4]cyclopenta[1,2-d]furan-5,9,12-(4H)-trione,3-tert-butylhexahydro-4,7b,11-trihydroxy-8-methyl-) in aqueous solution have beensettled by pH-metric and NMR studies. The three macroscopic pKa values as well as the watersolubility and thewater/n-octanol partition coefficient have beenextractedfrom pH-metric data by means of a nonlinear regressionmethodology. NMR spectroscopy provided confirmationof the values of the macroscopic constants, informationabout the effective ionization pathways, and an estimationof the proportions of the various forms under physiologically relevant conditions.