Account AY-22,252
- Catalog No. :
- ACORCB390
- CAS No. :
- 51988-99-9
- Molecular Formula :
- C27H37NaO7
- Molecular Weight :
- 496.58
IUPAC Name:sodium 4-(((3S,5R,8R,9S,10S,13R,14S,17S)-14-hydroxy-10,13-dimethyl-17-(2-oxo-2,5-dihydrofuran-3-yl)hexadecahydro-1H-cyclopenta[a]phenanthren-3-yl)oxy)-4-oxobutanoate
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Product Information
| Product Name | AY-22,252 |
|---|---|
| IUPAC Name | sodium 4-(((3S,5R,8R,9S,10S,13R,14S,17S)-14-hydroxy-10,13-dimethyl-17-(2-oxo-2,5-dihydrofuran-3-yl)hexadecahydro-1H-cyclopenta[a]phenanthren-3-yl)oxy)-4-oxobutanoate |
| Molecular Formula | C27H37NaO7 |
| Molecular Weight | 496.58 |
| SMILES | O=C([O-])CCC(O[C@H]1CC[C@]2(C)[C@@]3([H])CC[C@]4(C)[C@@H](C5=CCOC5=O)CC[C@]4(O)[C@]3([H])CC[C@]2([H])C1)=O.[Na+] |
| InChI Key | DICDVFVPWRNAHS-YDWBLUHQSA-M |
| Synonym | 24-Norchol-20(22)-en-21-oic acid, 3-(3-carboxy-1-oxopropoxy)-14,23-dihydroxy-, γ-lactone, monosodium salt, (3β,5β,14β)- (9CI);AY-22,252 |
| CAS No. | 51988-99-9 |
Synthetic Route by SureRoute
2. ACORCB390 Molecular Building Block Synthetic Route
4-(((3S,5R,8R,9S,10S,12R,13S,14S,17R)-12,14-dihydroxy-10,13-dimethyl-17-(5-oxo-2,5-dihydrofuran-3-yl)hexadecahydro-1H-cyclopenta[a]phenanthren-3-yl)oxy)-4-oxobutanoic acid
3-(2-((1R,4aS,5R,6R,8aS)-6-hydroxy-5-(hydroxymethyl)-5,8a-dimethyl-2-methylenedecahydronaphthalen-1-yl)ethyl)furan-2(5H)-one
4-((3S,5S,8R,9S,10S,13R,14S,17R)-3,14-dihydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)furan-2(5H)-one