HuagongsheHuagongshe Chemistry Print Report · For research reference only
3,5,19-Trihydroxy-8,19-epoxycard-20(22)-enolide
Identifiers & Physical Properties
| CAS No. | 26543-54-4 |
|---|---|
| Molecular formula | C23H32O6 |
| Average molar mass | 404.5 g/mol |
| Monoisotopic mass | 404.21988874 g/mol |
| SMILES | C[C@]12CCC3C4(CC[C@]5(O)C[C@@H](O)CC[C@]35C(O)O4)C1CC[C@@H]2C1=CC(=O)OC1 |
| InChIKey | LEXZZTKQKOEXQZ-OPKVYHOPSA-N |
| PubChem CID | 33539 |
| DTXSID | DTXSID10949390 |
Chemical & Physical Properties
| XLogP | 1.4 |
|---|---|
| Topological polar surface area | 96.2 |
| Hydrogen bond donors | 3 |
| Hydrogen bond acceptors | 6 |
| Rotatable bonds | 1 |
| Heavy atoms | 29 |
| Formal charge | 0 |
| Complexity | 794 |