AC1O58UJ
[2-[(8S,10S,11S,13S,14S,16R,17R)-9,17-dibromo-11-hydroxy-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] acetate
Also Known As: EINECS 262-720-3|(9xi)-9,17-Dibromo-11beta-hydroxy-16alpha-methyl-3,20-dioxopregna-1,4-dien-21-yl acetate|9,17-Dibromo-11-hydroxy-16-methyl-3,20-dioxopregna-1,4-dien-21-yl acetate|9,17-Dibromo-11beta,21-dihydroxy-16alpha-methylpregna-1,4-diene-3,20-dione 21-acetate|9,17-dibromo-11beta,21-dihydroxy-16alpha-methylpregna-1,4-diene-3,20-dione21-acetate|[2-[(8S,10S,11S,13S,14S,16R,17R)-9,17-dibromo-11-hydroxy-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] acetate
| Molecular Formula | C24H30Br2O5 |
|---|---|
| Molecular Weight | 556.046 g/mol |
| LogP | 4.2945 |
| Topological Polar Surface Area | 80.67 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 556.046 |
| Monoisotopic Mass | 558.04395 |
| Heavy Atoms | 31 |
| Complexity | 911.64575 |
Chemical Identifiers
| CAS Number | 61339-40-0 |
|---|---|
| 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)COC(=O)C)Br)C)O)Br)C |
Product Overview
AC1O58UJ (CAS 61339-40-0), with molecular formula C24H30Br2O5 and molecular weight 556.046 g/mol. IUPAC: [2-[(8S,10S,11S,13S,14S,16R,17R)-9,17-dibromo-11-hydroxy-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] acetate.