Account 2-((4R)-4-((3R,5R,6S,7R,10R,13R,17R)-3,6,7-trihydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanamido)ethane-1-sulfonic acid
- Catalog No. :
- ACIGGY491
- CAS No. :
- 25696-60-0
- Molecular Formula :
- C26H45NO7S
- Molecular Weight :
- 515.71
IUPAC Name:2-((4R)-4-((3R,5R,6S,7R,10R,13R,17R)-3,6,7-trihydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanamido)ethane-1-sulfonic acid
![2-((4R)-4-((3R,5R,6S,7R,10R,13R,17R)-3,6,7-trihydroxy-10,13-dimethylhexadecahydro-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,6S,7R,10R,13R,17R)-3,6,7-trihydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanamido)ethane-1-sulfonic acid |
|---|---|
| IUPAC Name | 2-((4R)-4-((3R,5R,6S,7R,10R,13R,17R)-3,6,7-trihydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanamido)ethane-1-sulfonic acid |
| Molecular Formula | C26H45NO7S |
| Molecular Weight | 515.71 |
| SMILES | C[C@H](CCC(=O)NCCS(=O)(=O)O)[C@H]1CCC2C3C(CC[C@@]21C)[C@@]1(C)CC[C@@H](O)C[C@H]1[C@H](O)[C@@H]3O |
| InChI Key | XSOLDPYUICCHJX-OEYGYFRSSA-N |
| Synonym | Tauro-alpha-muricholic acid | SCHEMBL21712539 | N-(3a,6b,7b-trihydroxy-5b-cholan-24-oyl)-Taurine | 3,6,7-Trihydroxy-N-(2-sulfoethyl)cholan-24-imidic acid | Tauro-alpha-muricholate | Ethanesulfonic acid, 2-(((3alpha,5beta,6beta,7beta)-3,6,7-trihydroxy-24-o |
| CAS No. | 25696-60-0 |
| PubChem CID | 168408 |
Synthetic Route by SureRoute
2. ACIGGY491 Molecular Building Block Synthetic Route
sodium 2-((R)-4-((3R,5R,6S,7R,8S,9S,10R,13R,14S,17R)-3,6,7-trihydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanamido)ethane-1-sulfonate
sodium 2-((R)-4-((3R,5R,6S,7S,8S,9S,10R,13R,14S,17R)-3,6,7-trihydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanamido)ethane-1-sulfonate
2-((R)-4-((3R,5R,6S,7S,8S,9S,10R,13R,14S,17R)-3,6,7-trihydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanamido)ethane-1-sulfonic acid