Base information
| Cat. No. | |
| CAS No. | 164017-31-6 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C44H54O5 |
| Molecular Weight | 662.897 |
| Exact Mass | 662.397 |
| XLogP3 | 7.9185 |
| Mr | 192.054 |
| PSA | 83.83 |
| Sequence | - |
| Atom number | 103 |
| Bond number | 112 |
| Ring number | 11 |
| Rotor number | 3 |
| Residues number | 0 |
| Canonical smiles | O=C1CC[C@]2(C(=C1)[C@@H]1C[C@@H]1[C@@H]1[C@@H]2CC[C@]2([C@H]1[C@@H]1C[C@@H]1[C@]12CCC(=O)O1)C)C.C#C[C@]1(O)CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CCc2c1ccc(c2)O |
