HuagongsheHuagongshe Chemistry Print Report · For research reference only
2'-Norlimacine
2'-norlimacine · 16H-1,24:6,9-Dietheno-11,15-metheno-2H-pyrido[2',3':17,18][1,11]dioxacycloeicosino[2,3,4-ij]isoquinolin-22-ol, 3,4,4a,5,16a,17,18,19-octahydro-12,21,26-trimethoxy-17-methyl-, (4aR,16aR)- (9CI)

Identifiers & Physical Properties
| CAS No. | 152697-37-5 |
|---|---|
| Molecular formula | C36H38N2O6 |
| Average molar mass | 594.7 g/mol |
| Monoisotopic mass | 594.27298694 g/mol |
| SMILES | COc1ccc2cc1Oc1ccc(cc1)C[C@H]1NCCc3cc(OC)c(cc31)Oc1c(O)c(OC)cc3c1[C@@H](C2)N(C)CC3 |
| InChIKey | QRSIKBXDEMEDLL-VSGBNLITSA-N |
| PubChem CID | 192608 |
| DTXSID | DTXSID60934574 |
Chemical & Physical Properties
| XLogP | 5.6 |
|---|---|
| Topological polar surface area | 81.7 |
| Hydrogen bond donors | 2 |
| Hydrogen bond acceptors | 8 |
| Rotatable bonds | 3 |
| Heavy atoms | 44 |
| Formal charge | 0 |
| Complexity | 932 |
| Boiling point | 720.1±60.0 °C(Predicted) |
| Density | 1.212±0.06 g/cm3(Predicted) |
| pKa (acidity coefficient) | 9.38±0.20(Predicted) |