9,17-Dibromo-11,21-dihydroxy-16-methylpregna-1,4-diene-3,20-dione
(8S,10S,11S,13S,14S,16R,17R)-9,17-dibromo-11-hydroxy-17-(2-hydroxyacetyl)-10,13,16-trimethyl-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-3-one
Also Known As: EINECS 262-722-4|9,17-Dibromo-11beta,21-dihydroxy-16alpha-methylpregna-1,4-diene-3,20-dione|9,17-Dibromo-11,21-dihydroxy-16-methylpregna-1,4-diene-3,20-dione|(9xi)-9,17-Dibromo-11beta,21-dihydroxy-16alpha-methylpregna-1,4-diene-3,20-dione|(8S,10S,11S,13S,14S,16R,17R)-9,17-dibromo-11-hydroxy-17-(2-hydroxyacetyl)-10,13,16-trimethyl-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-3-one
| Molecular Formula | C22H28Br2O4 |
|---|---|
| Molecular Weight | 514.0354 g/mol |
| LogP | 3.7237 |
| Topological Polar Surface Area | 74.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 514.0354 |
| Monoisotopic Mass | 516.0334 |
| Heavy Atoms | 28 |
| Complexity | 806.35846 |
Chemical Identifiers
| CAS Number | 61339-42-2 |
|---|---|
| SMILES | C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@@]4(C3([C@H](C[C@@]2([C@]1(C(=O)CO)Br)C)O)Br)C |
Product Overview
9,17-Dibromo-11,21-dihydroxy-16-methylpregna-1,4-diene-3,20-dione (CAS 61339-42-2), with molecular formula C22H28Br2O4 and molecular weight 514.0354 g/mol. IUPAC: (8S,10S,11S,13S,14S,16R,17R)-9,17-dibromo-11-hydroxy-17-(2-hydroxyacetyl)-10,13,16-trimethyl-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-3-one.