Base information
| Cat. No. | |
| CAS No. | 2181-04-6 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C22H29KO4 |
| Molecular Weight | 396.562 |
| Exact Mass | 396.17 |
| XLogP3 | 2.5555 |
| Mr | 99.1733 |
| PSA | 77.43 |
| Sequence | - |
| Atom number | 56 |
| Bond number | 58 |
| Ring number | 4 |
| Rotor number | 3 |
| Residues number | 0 |
| Canonical smiles | [O-]C(=O)CC[C@]1(O)CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C=CC2=CC(=O)CC[C@]12C.[K+] |
