Molecule ID: mol16556
SMILES: COC(=O)CCCNC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](OC(=O)CCC(=O)O)CC[C@]4(C)[C@H]3CC[C@]12C
InChI: InChI=1S/C31H49NO6/c1-20(19-32-17-5-6-28(35)37-4)24-9-10-25-23-8-7-21-18-22(38-29(36)12-11-27(33)34)13-15-30(21,2)26(23)14-16-31(24,25)3/h7,20,22-26,32H,5-6,8-19H2,1-4H3,(H,33,34)/t20-,22+,23+,24-,25+,26+,30+,31-/m1/s1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.40 | Baltruschat ChEMBL | 1 » 0 |