Corticosterone 21-stearate
[2-[(8S,9S,10R,11S,13S,14S,17S)-11-hydroxy-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] octadecanoate
Also Known As: Corticosterone 21-stearate|corticosterone21-stearate|KST-1A0082|(11|A)-11-hydroxy-3,20-dioxopregn-4-en-21-yl octadecanoate|[2-[(8S,9S,10R,11S,13S,14S,17S)-11-hydroxy-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] octadecanoate|Cholest-4-ene-3,20-dione, 11-hydroxy-21-((1-oxooctadecyl)oxy)-, (11beta)-
| Molecular Formula | C39H64O5 |
|---|---|
| Molecular Weight | 612.4754 g/mol |
| LogP | 10.9 |
| Topological Polar Surface Area | 80.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 20 |
| Exact Mass | 612.4754 |
| Monoisotopic Mass | 612.4754 |
| Heavy Atoms | 44 |
| Complexity | 985.0 |
Chemical Identifiers
| CAS Number | 4572-09-2 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCCCC(=O)OCC(=O)[C@H]1CC[C@@H]2[C@@]1(C[C@@H]([C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)O)C |
| InChIKey | PHVSFSOUKNEKMJ-YHXIKRRLSA-N |
Product Overview
Corticosterone 21-stearate (CAS 4572-09-2), with molecular formula C39H64O5 and molecular weight 612.4754 g/mol. IUPAC: [2-[(8S,9S,10R,11S,13S,14S,17S)-11-hydroxy-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] octadecanoate.