Ionization constants of ginkgolide B in aqueous solution.
Ionization constants of ginkgolide B in aqueous solution.
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DOI：
10.1021/ac950939g
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发表时间：
1996-08
影响因子：
7.4
通讯作者：
O. Zekri;P. Boudeville;P. Genay;B. Perly;P. Braquet;P. Jouenne;J. Burgot
中科院分区：
文献类型：
--
作者：
O. Zekri;P. Boudeville;P. Genay;B. Perly;P. Braquet;P. Jouenne;J. Burgot
银杏内酯B的热力学电离常数（pK(a)(1)、pK(a)(2)、pK(a)(3)） (9H-1,7a-(环氧甲烷)-1H,6aH-环戊[c]呋喃[2,3-b]呋喃-[3',2':3,4]环戊[1,2-d]呋喃-5,9,12-(4H)-三酮,3-叔丁基六氢-4,7b,11-三羟基-8-甲基-)在水溶液中已通过pH计和核磁共振研究。通过非线性回归方法从 pH 测量数据中提取了三个宏观 pK(a) 值以及水溶性和水/正辛醇分配系数。核磁共振波谱提供了宏观常数值的确认、有效电离途径的信息以及生理相关条件下各种形式的比例的估计。
The thermodynamic ionization constants (pK(a)(1), pK(a)(2), and pK(a)(3)) 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 been settled by pH-metric and NMR studies. The three macroscopic pK(a) values as well as the water solubility and the water/n-octanol partition coefficient have been extracted from pH-metric data by means of a nonlinear regression methodology. NMR spectroscopy provided confirmation of the values of the macroscopic constants, information about the effective ionization pathways, and an estimation of the proportions of the various forms under physiologically relevant conditions.