HuagongsheHuagongshe Chemistry Print Report · For research reference only
Cycleabarbatine
cycleabarbatine · Berbaman-6-ol, 6',7,12-trimethoxy-2,2'-dimethyl- (9CI)
Identifiers & Physical Properties
| CAS No. | 152697-36-4 |
|---|---|
| Molecular formula | C37H40N2O6 |
| Average molar mass | 608.7 g/mol |
| Monoisotopic mass | 608.288637 g/mol |
| SMILES | COc1ccc2cc1Oc1ccc(cc1)C[C@H]1c3cc(c(OC)cc3CCN1C)Oc1c(OC)c(O)cc3c1[C@@H](C2)N(C)CC3 |
| InChIKey | JIGFMOPXEDLMPQ-URLMMPGGSA-N |
| PubChem CID | 192607 |
| DTXSID | DTXSID00934573 |
Chemical & Physical Properties
| XLogP | 6.1 |
|---|---|
| Topological polar surface area | 72.9 |
| Hydrogen bond donors | 1 |
| Hydrogen bond acceptors | 8 |
| Rotatable bonds | 3 |
| Heavy atoms | 45 |
| Formal charge | 0 |
| Complexity | 963 |