Molecule ID: mol32054
SMILES: C[C@]12CC[C@H](O)C[C@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](/C=N/NC(N)=O)CC[C@]12O
InChI: InChI=1S/C21H35N3O3/c1-19-8-6-15(25)11-13(19)3-4-17-16(19)7-9-20(2)14(5-10-21(17,20)27)12-23-24-18(22)26/h12-17,25,27H,3-11H2,1-2H3,(H3,22,24,26)/b23-12+/t13-,14-,15+,16+,17-,19+,20-,21+/m1/s1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 1.78 | OCHEM | 1 » 0 |