Molecule ID: mol37807

SMILES: CC1(C)O[C@H]2CC(=O)OC[C@]23[C@H]2C[C@@](C)(CC4CCOC4)C[C@@]4(O[C@@H]4C(=O)O)[C@]2(C)C(=O)C[C@@H]13

InChI: InChI=1S/C26H36O8/c1-22(2)15-7-17(27)24(4)16(25(15)13-32-19(28)8-18(25)33-22)10-23(3,9-14-5-6-31-11-14)12-26(24)20(34-26)21(29)30/h14-16,18,20H,5-13H2,1-4H3,(H,29,30)/t14?,15-,16-,18-,20+,23+,24-,25-,26-/m0/s1

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
2.70 QSARToolbox 0 » -1
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Charge States and Microspecies Visualization