Base information
| Cat. No. | |
| CAS No. | 2545-22-4 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C45H74O2 |
| Molecular Weight | 647.068 |
| Exact Mass | 646.569 |
| XLogP3 | 13.5291 |
| Mr | 208.842 |
| PSA | 26.3 |
| Sequence | - |
| Atom number | 121 |
| Bond number | 124 |
| Ring number | 4 |
| Rotor number | 20 |
| Residues number | 0 |
| Canonical smiles | CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)O[C@H]1CC[C@]2(C(=CC[C@@H]3[C@@H]2CC[C@]2([C@H]3CC[C@@H]2[C@@H](CCCC(C)C)C)C)C1)C |
