HuagongsheHuagongshe Chemistry Print Report · For research reference only
5,14-Epi-28,30-dinorquassinoid
methyl 3 alpha-acetoxy-13 alpha-carbomethoxy-16-oxo-17-oxa-13,17-seco-7 alpha,17-cyclo-5 beta-androstane
Identifiers & Physical Properties
| CAS No. | 74915-13-2 |
|---|---|
| Molecular formula | C22H32O6 |
| Average molar mass | 392.5 g/mol |
| Monoisotopic mass | 392.21988874 g/mol |
| SMILES | COC(=O)C1(C)CCC2C3C(CC4CC(OC(C)=O)CCC42C)OC(=O)CC31 |
| InChIKey | VMBXOXQCDZJGAS-UHFFFAOYSA-N |
| PubChem CID | 194635 |
| DTXSID | DTXSID70996401 |
Chemical & Physical Properties
| XLogP | 3.4 |
|---|---|
| Topological polar surface area | 78.9 |
| Hydrogen bond donors | 0 |
| Hydrogen bond acceptors | 6 |
| Rotatable bonds | 4 |
| Heavy atoms | 28 |
| Formal charge | 0 |
| Complexity | 689 |