17,20-Dihydroxy-3,11-dioxopregn-4-en-20-yl 3-cyclopentylpropanoate
[1-hydroxy-1-[(8S,9S,10R,13S,14S,17R)-17-hydroxy-10,13-dimethyl-3,11-dioxo-1,2,6,7,8,9,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-yl]ethyl] 3-cyclopentylpropanoate
Also Known As: Cortisone, 21-cyclopentanepropionate|17,20-Dihydroxy-3,11-dioxopregn-4-en-20-yl 3-cyclopentylpropanoate|[1-hydroxy-1-[(8S,9S,10R,13S,14S,17R)-17-hydroxy-10,13-dimethyl-3,11-dioxo-1,2,6,7,8,9,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-yl]ethyl] 3-cyclopentylpropanoate
| Molecular Formula | C29H42O6 |
|---|---|
| Molecular Weight | 486.29813 g/mol |
| LogP | 4.6505 |
| Topological Polar Surface Area | 100.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 486.29813 |
| Monoisotopic Mass | 486.29813 |
| Heavy Atoms | 35 |
| Complexity | 944.81866 |
Chemical Identifiers
| CAS Number | 509-00-2 |
|---|---|
| SMILES | C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2C(=O)C[C@]4([C@H]3CC[C@@]4(C(C)(O)OC(=O)CCC5CCCC5)O)C |
Product Overview
17,20-Dihydroxy-3,11-dioxopregn-4-en-20-yl 3-cyclopentylpropanoate (CAS 509-00-2), with molecular formula C29H42O6 and molecular weight 486.29813 g/mol. IUPAC: [1-hydroxy-1-[(8S,9S,10R,13S,14S,17R)-17-hydroxy-10,13-dimethyl-3,11-dioxo-1,2,6,7,8,9,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-yl]ethyl] 3-cyclopentylpropanoate.