Molecule ID: mol15002
SMILES: CC(C)=CCC1C(=O)C(CC=C(C)C)(CC=C(C)C)C(O)(C(=O)O)C1=O
InChI: InChI=1S/C21H30O5/c1-13(2)7-8-16-17(22)20(11-9-14(3)4,12-10-15(5)6)21(26,18(16)23)19(24)25/h7,9-10,16,26H,8,11-12H2,1-6H3,(H,24,25)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.90 | Datawarrior | 0 » -1 |
| 3.90 | OCHEM | 0 » -1 |
| 9.70 | Datawarrior | -2 » -3 |