Account sodium (3R,5R,7R,8R,9S,10S,13R,14S,17R)-17-((R)-6-fluoro-5-oxohexan-2-yl)-7-hydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-3-yl sulfate
- Catalog No. :
- ACYGXG161
- CAS No. :
- 2553218-46-3
- Molecular Formula :
- C25H40FNaO6S
- Molecular Weight :
- 510.64
IUPAC Name:sodium (3R,5R,7R,8R,9S,10S,13R,14S,17R)-17-((R)-6-fluoro-5-oxohexan-2-yl)-7-hydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-3-yl sulfate
![sodium (3R,5R,7R,8R,9S,10S,13R,14S,17R)-17-((R)-6-fluoro-5-oxohexan-2-yl)-7-hydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-3-yl sulfate structure diagram](/images/productimg/no-pic.svg)
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Product Information
| Product Name | sodium (3R,5R,7R,8R,9S,10S,13R,14S,17R)-17-((R)-6-fluoro-5-oxohexan-2-yl)-7-hydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-3-yl sulfate |
|---|---|
| IUPAC Name | sodium (3R,5R,7R,8R,9S,10S,13R,14S,17R)-17-((R)-6-fluoro-5-oxohexan-2-yl)-7-hydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-3-yl sulfate |
| Molecular Formula | C25H40FNaO6S |
| Molecular Weight | 510.64 |
| SMILES | C[C@H](CCC(=O)CF)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](OS(=O)(=O)[O-])CC[C@]4(C)[C@H]3CC[C@]12C.[Na+] |
| InChI Key | GVCGSXGVFOXFAT-CTSSCMOWSA-M |
| Synonym | 26,27-Dinorcholestan-24-one, 25-fluoro-7-hydroxy-3-(sulfooxy)-, sodium salt (1:1), (3α,5β,7α)-;acid,Inhibitor,bile,Bacterial,orally,Nontoxic,GR7,Gut restricted 7,GR 7,Gut restricted7,gut,BSH,gut-restricted,inhibit,Gut restricted-7;Gut restricted-7, 10 mM in DMSO;CAS:2553218-46-3 |
| CAS No. | 2553218-46-3 |
Synthetic Route by SureRoute
2. ACYGXG161 Molecular Building Block Synthetic Route
(3R,5R,8R,9S,10S,13R,14S,17R)-17-((R)-6-fluoro-5-oxohexan-2-yl)-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-3-yl hydrogen sulfate
(R)-4-((3R,5S,7S,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-3,7-bis(sulfooxy)hexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoic acid
sodium (4R)-4-((3R,5S,7S,10S,13R,17R)-10,13-dimethyl-3,7-bis(sulfonatooxy)hexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoate