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
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 2.70 | QSARToolbox | 0 » -1 |