Prednisolone, 21-cyclopentanecarboxylate
[2-[(8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-10,13-dimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] cyclopentanecarboxylate
Also Known As: Prednisolone, 21-cyclopentanecarboxylate|U 7084|Pregna-1,20-dione, 11.beta.,17,21-trihydroxy-, 21-cyclopentanecarboxylate|[2-[(8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-10,13-dimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] cyclopentanecarboxylate
| Molecular Formula | C27H36O6 |
|---|---|
| Molecular Weight | 456.2512 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 101.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 456.2512 |
| Monoisotopic Mass | 456.2512 |
| Heavy Atoms | 33 |
| Complexity | 929.0 |
Chemical Identifiers
| CAS Number | 89471-69-2 |
|---|---|
| SMILES | C[C@]12C[C@@H]([C@H]3[C@H]([C@@H]1CC[C@@]2(C(=O)COC(=O)C4CCCC4)O)CCC5=CC(=O)C=C[C@]35C)O |
| InChIKey | HZNGFAATLNQRBS-KJKDQFDUSA-N |
Product Overview
Prednisolone, 21-cyclopentanecarboxylate (CAS 89471-69-2), with molecular formula C27H36O6 and molecular weight 456.2512 g/mol. IUPAC: [2-[(8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-10,13-dimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] cyclopentanecarboxylate.