Account 2-((4R)-4-((3R,5R,7R,10S,13R,17R)-7-hydroxy-10,13-dimethyl-3-(sulfooxy)hexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanamido)ethane-1-sulfonic acid
- Catalog No. :
- ACIXTO403
- CAS No. :
- 67030-59-5
- Molecular Formula :
- C26H45NO9S2
- Molecular Weight :
- 579.78
IUPAC Name:2-((4R)-4-((3R,5R,7R,10S,13R,17R)-7-hydroxy-10,13-dimethyl-3-(sulfooxy)hexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanamido)ethane-1-sulfonic acid
![2-((4R)-4-((3R,5R,7R,10S,13R,17R)-7-hydroxy-10,13-dimethyl-3-(sulfooxy)hexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanamido)ethane-1-sulfonic acid structure diagram](/images/productimg/no-pic.svg)
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Product Information
| Product Name | 2-((4R)-4-((3R,5R,7R,10S,13R,17R)-7-hydroxy-10,13-dimethyl-3-(sulfooxy)hexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanamido)ethane-1-sulfonic acid |
|---|---|
| IUPAC Name | 2-((4R)-4-((3R,5R,7R,10S,13R,17R)-7-hydroxy-10,13-dimethyl-3-(sulfooxy)hexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanamido)ethane-1-sulfonic acid |
| Molecular Formula | C26H45NO9S2 |
| Molecular Weight | 579.78 |
| SMILES | C[C@H](CCC(=O)NCCS(=O)(=O)O)[C@H]1CCC2C3C(CC[C@@]21C)[C@@]1(C)CC[C@@H](OS(=O)(=O)O)C[C@H]1C[C@H]3O |
| InChI Key | GLVWZDCWCRWVFM-RZGYGYJVSA-N |
| Synonym | 2-[[(3a,5b,7a)-7-hydroxy-24-oxo-3-(sulfooxy)cholan-24-yl]amino]-ethanesulfonic acid;Taurochenodeoxycholate-3-sulfate;Ethanesulfonic acid, 2-[[(3α,5β,7α)-7-hydroxy-24-oxo-3-(sulfooxy)cholan-24-yl]amino]- |
| CAS No. | 67030-59-5 |
Synthetic Route by SureRoute
2. ACIXTO403 Molecular Building Block Synthetic Route
2-((R)-4-((3R,5S,7R,8R,9S,10S,13R,14S,17R)-3,7-Dihydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanamido)ethanesulfonic acid
2-((R)-4-((3R,5S,7S,8R,9S,10S,13R,14S,17R)-3,7-Dihydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanamido)ethane-1-sulfonic acid
Sodium 2-((R)-4-((3R,5S,7S,8R,9S,10S,13R,14S,17R)-3,7-dihydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanamido)ethane-1-sulfonate