Base information
| Cat. No. | |
| CAS No. | 13649-57-5 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C23H29NO5 |
| Molecular Weight | 399.48 |
| Exact Mass | 399.205 |
| XLogP3 | 1.428 |
| Mr | 111.495 |
| PSA | 96.19 |
| Sequence | - |
| Atom number | 58 |
| Bond number | 62 |
| Ring number | 5 |
| Rotor number | 2 |
| Residues number | 0 |
| Canonical smiles | OCC(=O)[C@@]12N=C(O[C@@H]1C[C@@H]1[C@]2(C)C[C@H](O)[C@H]2[C@H]1CCC1=CC(=O)C=C[C@]21C)C |
