Products 2707415-29-8
CAS 2707415-29-8 is the registry number for Tauro-12-oxolithocholanoic acid (sodium). Offered by: MedChemExpress. Available pack sizes: Get quote.
Sodium 2-[[(4R)-4-[(3R,5R,8R,9S,10S,13R,14S,17R)-3-hydroxy-10,13-dimethyl-12-oxo-1,2,3,4,5,6,7,8,9,11,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]pentanoyl]amino]ethanesulfonate (CAS 2707415-29-8) is a chemical compound with the molecular formula C26H42NNaO6S and a molecular weight of 519.7 g/mol. IUPAC name: sodium 2-[[(4R)-4-[(3R,5R,8R,9S,10S,13R,14S,17R)-3-hydroxy-10,13-dimethyl-12-oxo-1,2,3,4,5,6,7,8,9,11,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]pentanoyl]amino]ethanesulfonate. InChIKey: ZHJDOKCDNCDQEI-LGURPPGFSA-M.
| Molecular formula | C26H42NNaO6S |
|---|---|
| Molecular weight | 519.7 g/mol |
| IUPAC name | sodium 2-[[(4R)-4-[(3R,5R,8R,9S,10S,13R,14S,17R)-3-hydroxy-10,13-dimethyl-12-oxo-1,2,3,4,5,6,7,8,9,11,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]pentanoyl]amino]ethanesulfonate |
| InChIKey | ZHJDOKCDNCDQEI-LGURPPGFSA-M |
| SMILES | C[C@H](CCC(=O)NCCS(=O)(=O)[O-])[C@H]1CC[C@@H]2[C@@]1(C(=O)C[C@H]3[C@H]2CC[C@H]4[C@@]3(CC[C@H](C4)O)C)C.[Na+] |
Computed by PubChem (NCBI)
Synonyms:
orb3144631