AC1NEB0P
[6,9-difluoro-11-hydroxy-17-(iodomethylsulfanylcarbonyl)-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl] propanoate
Also Known As: [6,9-difluoro-11-hydroxy-17-(iodomethylsulfanylcarbonyl)-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl] propanoate|5-Iodomethyl 6 ,9 -Difluoro-11 -hydroxy-16 -methyl-3-oxo-17 -(propionyloxy)-androsta-1,4-diene-17 -carbothioate|5-Iodomethyl 6a,9a-Difluoro-11b-hydroxy-16a-methyl-3-oxo-17a-(propionyloxy)-androsta-1,4-diene-17b-carbothioate
| Molecular Formula | C25H31F2IO5S |
|---|---|
| Molecular Weight | 608.0905 g/mol |
| LogP | 4.8955 |
| Topological Polar Surface Area | 80.67 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 608.0905 |
| Monoisotopic Mass | 608.0905 |
| Heavy Atoms | 34 |
| Complexity | 986.35284 |
Chemical Identifiers
| CAS Number | 80474-67-5 |
|---|---|
| SMILES | CCC(=O)OC1(C(CC2C1(CC(C3(C2CC(C4=CC(=O)C=CC43C)F)F)O)C)C)C(=O)SCI |
Product Overview
AC1NEB0P (CAS 80474-67-5), with molecular formula C25H31F2IO5S and molecular weight 608.0905 g/mol. IUPAC: [6,9-difluoro-11-hydroxy-17-(iodomethylsulfanylcarbonyl)-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl] propanoate.
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