Domoprednate
[(1R,4aS,4bS,10aR,10bS,11S,12aS)-1-acetyl-11-hydroxy-10a,12a-dimethyl-8-oxo-2,3,4,4a,4b,5,6,10b,11,12-decahydrochrysen-1-yl] butanoate
| Molecular Formula | C26H36O5 |
|---|---|
| Molecular Weight | 428.6 g/mol |
| LogP | 4.6 |
| Topological Polar Surface Area | 80.7 A2 |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 428.2563 |
| Heavy Atoms | 31 |
| Complexity | 856.0 |
Chemical Identifiers
| CAS Number | 66877-67-6 |
|---|---|
| SMILES | CCCC(=O)OC1(CCCC2C1(CC(C3C2CCC4=CC(=O)C=CC34C)O)C)C(=O)C |
| InChIKey | IYBYNRHXGXDDDS-VRRJBYJJSA-N |
📖 Product Overview
Domoprednate (CAS: 66877-67-6) is a chemical compound with molecular formula C26H36O5 and molecular weight 428.6 g/mol. Its IUPAC systematic name is [(1R,4aS,4bS,10aR,10bS,11S,12aS)-1-acetyl-11-hydroxy-10a,12a-dimethyl-8-oxo-2,3,4,4a,4b,5,6,10b,11,12-decahydrochrysen-1-yl] butanoate.
IYBYNRHXGXDDDS-VRRJBYJJSA-N.
SMILES: CCCC(=O)OC1(CCCC2C1(CC(C3C2CCC4=CC(=O)C=CC34C)O)C)C(=O)C.
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