AF 57
4-[[(2R,3aS,3bS,5aS,6R,8bR,10aS)-2,6-diethynyl-6-hydroxy-3a,5a-dimethyl-1,3,3b,4,5,7,8,8a,8b,9,10,10a-dodecahydroindeno[5,4-e]inden-2-yl]oxy]-4-oxobutanoic acid
Also Known As: AF 57|AF-57|A-Norpregn-20-yne-2,17-diol, 2-ethynyl-, 2-(hydrogen butanedioate), (2-beta,5-alpha,17-alpha)-|4-[[(2R,3aS,3bS,5aS,6R,8bR,10aS)-2,6-diethynyl-6-hydroxy-3a,5a-dimethyl-1,3,3b,4,5,7,8,8a,8b,9,10,10a-dodecahydroindeno[5,4-e]inden-2-yl]oxy]-4-oxobutanoic acid|4-[(2,6-Diethynyl-6-hydroxy-3a,5a-dimethylhexadecahydrodicyclopenta[a,f]naphthalen-2-yl)oxy]-4-oxobutanoic acid|4-{[(2R,3aS,3bS,5aS,6R,8bR,10aS)-2,6-Diethynyl-6-hydroxy-3a,5a-dimethylhexadecahydrodicyclopenta[a,f]naphthalen-2-yl]oxy}-4-oxobutanoic acid
| Molecular Formula | C26H34O5 |
|---|---|
| Molecular Weight | 426.24063 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 83.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 426.24063 |
| Monoisotopic Mass | 426.24063 |
| Heavy Atoms | 31 |
| Complexity | 890.0 |
Chemical Identifiers
| CAS Number | 96107-38-9 |
|---|---|
| SMILES | C[C@]12CC[C@H]3[C@H](C1CC[C@]2(C#C)O)CC[C@@H]4[C@@]3(C[C@](C4)(C#C)OC(=O)CCC(=O)O)C |
| InChIKey | QFWXVJBIZHFTCE-NHVJKOCDSA-N |
Product Overview
AF 57 (CAS 96107-38-9), with molecular formula C26H34O5 and molecular weight 426.24063 g/mol. IUPAC: 4-[[(2R,3aS,3bS,5aS,6R,8bR,10aS)-2,6-diethynyl-6-hydroxy-3a,5a-dimethyl-1,3,3b,4,5,7,8,8a,8b,9,10,10a-dodecahydroindeno[5,4-e]inden-2-yl]oxy]-4-oxobutanoic acid.