Sch 23409
[(7R,8S,9S,10R,11S,13S,14S,16R,17R)-17-(2-acetyloxyacetyl)-7-bromo-11-hydroxy-10,13,16-trimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl] benzoate
Also Known As: Sch 23409|Sch-23409|[(7R,8S,9S,10R,11S,13S,14S,16R,17R)-17-(2-acetyloxyacetyl)-7-bromo-11-hydroxy-10,13,16-trimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl] benzoate|7alpha-Bromo-16alpha-methylprednisolone 17-benzoate 21-acetate|7 alpha-bromo-16 alpha-methylprednisolone 17-benzoate 21-acetate|(7R,8S,9S,10R,11S,13S,14S,16R,17R)-17-(2-acetoxyacetyl)-7-bromo-11-hydroxy-10,13,16-trimethyl-3-oxo-6,7,8,9,10,11,12,13,14,15,16,17-dodecahydro-3H-cyclopenta[a]phenanthren-17-yl benzoate|Pregna-1,4-diene-3,20-dione, 21-(acetyloxy)-17-(benzoyloxy)-7-bromo-11-hydroxy-16-methyl-, (7alpha,11beta,16alpha)-|21-(Acetyloxy)-7-bromo-11-hydroxy-16-methyl-3,20-dioxopregna-1,4-dien-17-yl benzoate|21-(Acetyloxy)-7alpha-bromo-11beta-hydroxy-16alpha-methyl-3,20-dioxopregna-1,4-dien-17-yl benzoate|pregna-1,4-diene-3,20-dione, 21-(acetyloxy)-17-(benzoyloxy)-7-bromo-11-hydroxy-16-methyl-,(7|A,11|A,16|A)-
| Molecular Formula | C31H35BrO7 |
|---|---|
| Molecular Weight | 598.1566 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 107.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 598.1566 |
| Monoisotopic Mass | 598.1566 |
| Heavy Atoms | 39 |
| Complexity | 1120.0 |
Chemical Identifiers
| CAS Number | 778-66-5 |
|---|---|
| SMILES | C[C@@H]1C[C@H]2[C@@H]3[C@@H](CC4=CC(=O)C=C[C@@]4([C@H]3[C@H](C[C@@]2([C@]1(C(=O)COC(=O)C)OC(=O)C5=CC=CC=C5)C)O)C)Br |
| InChIKey | ZDRFYHPNXXPAGN-WWZZPOJZSA-N |
Product Overview
Sch 23409 (CAS 778-66-5), with molecular formula C31H35BrO7 and molecular weight 598.1566 g/mol. IUPAC: [(7R,8S,9S,10R,11S,13S,14S,16R,17R)-17-(2-acetyloxyacetyl)-7-bromo-11-hydroxy-10,13,16-trimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl] benzoate.