HuagongsheHuagongshe Chemistry Print Report · For research reference only
11-((3beta-Acetoxy-28-norlup-20(29)-en-17-yl)carbamoyl)undecanoic acid
11-[[3.beta.-Acetoxy-28-norlup-20(29)-en-17-yl]carbamoyl]undecanoic ac id · Dodecanoic acid, 12-[(3β)-3-hydroxy-28-norlup-20(29)-en-17-yl]-12-oxo- (9CI)
Identifiers & Physical Properties
| CAS No. | 173106-46-2 |
|---|---|
| Molecular formula | C41H69NO4 |
| Average molar mass | 640 g/mol |
| Monoisotopic mass | 639.52265968 g/mol |
| SMILES | C=C(C)[C@@H]1CC[C@]2(NC(=O)CCCCCCCCCCC(=O)O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12 |
| InChIKey | ULGQTYCLGUYEJA-OOIWYLDHSA-N |
| PubChem CID | 463519 |
| DTXSID | DTXSID80938317 |
Chemical & Physical Properties
| XLogP | 11.1 |
|---|---|
| Topological polar surface area | 86.6 |
| Hydrogen bond donors | 3 |
| Hydrogen bond acceptors | 4 |
| Rotatable bonds | 13 |
| Heavy atoms | 46 |
| Formal charge | 0 |
| Complexity | 1,130 |