HuagongsheHuagongshe Chemistry Print Report · For research reference only
Pyripyropene B
pyripyropene B · 2H,11H-Naphtho[2,1-b]pyrano[3,4-e]pyran-11-one, 3,6-bis(acetyloxy)-1,3,4,4a,5,6,6a,12,12a,12b-decahydro-12-hydroxy-4,6a,12b-trimethyl-4-[(1-oxopropoxy)methyl]-9-(3-pyridinyl)-, (3S,4R,4aR,6S,6aS,12R,12aS,12bS)-
Identifiers & Physical Properties
| CAS No. | 151519-44-7 |
|---|---|
| Molecular formula | C32H39NO10 |
| Average molar mass | 597.7 g/mol |
| Monoisotopic mass | 597.25739644 g/mol |
| SMILES | CCC(=O)OCC1(C)C(OC(C)=O)CCC2(C)C1CC(OC(C)=O)C1(C)Oc3cc(-c4cccnc4)oc(=O)c3C(O)C21 |
| InChIKey | HQJYCJFUVSNJFK-UHFFFAOYSA-N |
| PubChem CID | 192539 |
| ChEBI | CHEBI:215785 |
| DTXSID | DTXSID40934274 |
Chemical & Physical Properties
| XLogP | 2.9 |
|---|---|
| Topological polar surface area | 148 |
| Hydrogen bond donors | 1 |
| Hydrogen bond acceptors | 11 |
| Rotatable bonds | 9 |
| Heavy atoms | 43 |
| Formal charge | 0 |
| Complexity | 1,240 |