HuagongsheHuagongshe Chemistry Print Report · For research reference only
12-Deoxy-phorbol-13-dodecenoate-20-acetate
Identifiers & Physical Properties
| CAS No. | 56530-50-8 |
|---|---|
| Molecular formula | C34H50O7 |
| Average molar mass | 570.8 g/mol |
| Monoisotopic mass | 570.35565393 g/mol |
| SMILES | CCCCCCCCC/C=C/C(=O)O[C@@]12C[C@@H](C)[C@@]3(O)[C@@H](C=C(COC(C)=O)C[C@]4(O)C(=O)C(C)=C[C@@H]34)[C@@H]1C2(C)C |
| InChIKey | XQGKBSKEESWENX-KNOOQVDJSA-N |
| PubChem CID | 6446292 |
Chemical & Physical Properties
| XLogP | 6.3 |
|---|---|
| Topological polar surface area | 110 |
| Hydrogen bond donors | 2 |
| Hydrogen bond acceptors | 7 |
| Rotatable bonds | 14 |
| Heavy atoms | 41 |
| Formal charge | 0 |
| Complexity | 1,130 |