HuagongsheHuagongshe Chemistry Print Report · For research reference only
1H-Cycloundec(d)isoindole-1,11,12,15(2H)-tetrone, 3,3a,4,6a,9,10,13,14-octahydro-4,5,8-trimethyl-3-(2-methylpropyl)-, (3S,3aR,4S,6aS,7E,15aS)-
Asposterol · Aspochalasine A · [3S,13E,(-)]-14-Methyl-3-(2-methylpropyl)-10-nor[11]cytochalasa-6,13-diene-1,17,18,21-tetrone · 1H-Cycloundec(d)isoindole-1,11,12,15(2H)-tetrone, 3,3a,4,6a,9,10,13,14 -octahydro-4,5,8-trimethyl-3-(2-methylpropyl)-, (3S,3aR,4S,6aS,7E,15aS )-
Identifiers & Physical Properties
| CAS No. | 72363-48-5 |
|---|---|
| Molecular formula | C24H33NO4 |
| Average molar mass | 399.5 g/mol |
| Monoisotopic mass | 399.24095853 g/mol |
| SMILES | CC1=C[C@@H]2/C=C(/C)CCC(=O)C(=O)CCC(=O)[C@]23C(=O)N[C@@H](CC(C)C)[C@@H]3[C@@H]1C |
| InChIKey | BPFQGYYSWWQTFO-VIMWNUOGSA-N |
| PubChem CID | 6440468 |
Chemical & Physical Properties
| XLogP | 2.3 |
|---|---|
| Topological polar surface area | 80.3 |
| Hydrogen bond donors | 1 |
| Hydrogen bond acceptors | 4 |
| Rotatable bonds | 2 |
| Heavy atoms | 29 |
| Formal charge | 0 |
| Complexity | 806 |
| FDA UNII | 6PGL7Q6HDT |