Base information
| Cat. No. | |
| CAS No. | 1313187-39-1 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C47H50O4 |
| Molecular Weight | 678.897 |
| Exact Mass | 678.371 |
| XLogP3 | 11.6503 |
| Mr | 210.447 |
| PSA | 74.6 |
| Sequence | - |
| Atom number | 101 |
| Bond number | 105 |
| Ring number | 5 |
| Rotor number | 16 |
| Residues number | 0 |
| Canonical smiles | CCCCCCCCC1(CCCCCCCC)c2cc(ccc2-c2c1cc(cc2)C#Cc1ccc(cc1)C(=O)O)C#Cc1ccc(cc1)C(=O)O |
