![4-[(11,20-Dioxopregnan-3-yl)oxy]-4-oxobutanoic acid structure](/static/products/1920/1920-71-4.webp)
4-[(11,20-Dioxopregnan-3-yl)oxy]-4-oxobutanoic acid
4-[[(3R,5R,8S,9S,10S,13S,14S,17S)-17-acetyl-10,13-dimethyl-11-oxo-1,2,3,4,5,6,7,8,9,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl]oxy]-4-oxobutanoic acid
Also Known As: 4-[(11,20-Dioxopregnan-3-yl)oxy]-4-oxobutanoic acid|4-{[(3|A,5|A)-11,20-dioxopregnan-3-yl]oxy}-4-oxobutanoic acid|4-[(11,20-Dioxo-5beta-pregnan-3alpha-yl)oxy]-4-oxobutanoic acid|4-[[(3R,5R,8S,9S,10S,13S,14S,17S)-17-acetyl-10,13-dimethyl-11-oxo-1,2,3,4,5,6,7,8,9,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl]oxy]-4-oxobutanoic acid
| Molecular Formula | C25H36O6 |
|---|---|
| Molecular Weight | 432.2512 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 97.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 432.2512 |
| Monoisotopic Mass | 432.2512 |
| Heavy Atoms | 31 |
| Complexity | 789.0 |
Chemical Identifiers
| CAS Number | 1920-71-4 |
|---|---|
| SMILES | CC(=O)[C@H]1CC[C@@H]2[C@@]1(CC(=O)[C@H]3[C@H]2CC[C@H]4[C@@]3(CC[C@H](C4)OC(=O)CCC(=O)O)C)C |
| InChIKey | RKPBFMBKINKTPB-MEFNBDQCSA-N |
Product Overview
4-[(11,20-Dioxopregnan-3-yl)oxy]-4-oxobutanoic acid (CAS 1920-71-4), with molecular formula C25H36O6 and molecular weight 432.2512 g/mol. IUPAC: 4-[[(3R,5R,8S,9S,10S,13S,14S,17S)-17-acetyl-10,13-dimethyl-11-oxo-1,2,3,4,5,6,7,8,9,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl]oxy]-4-oxobutanoic acid.