Base information
| Cat. No. | |
| CAS No. | 218600-44-3 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C31H41NO4 |
| Molecular Weight | 491.662 |
| Exact Mass | 491.304 |
| XLogP3 | 6.29058 |
| Mr | 139.974 |
| PSA | 95.23 |
| Sequence | - |
| Atom number | 77 |
| Bond number | 81 |
| Ring number | 5 |
| Rotor number | 1 |
| Residues number | 0 |
| Canonical smiles | N#CC1=C[C@@]2(C)[C@H](C(C1=O)(C)C)CC[C@@]1(C2=CC(=O)[C@H]2[C@@]1(C)CC[C@@]1([C@H]2CC(C)(C)CC1)C(=O)O)C |
