Products 69320-22-5

CAS 69320-22-5 appears in our catalog under these names: Tauroallolithocholanoic acid, Tauroallolithocholic Acid, TAUROALLOLITHOCHOLANOIC ACID, Tauroallolithocholanoic acid (sodium). Offered by: GLPBio, Chemat Brand, Sigma-Aldrich, MedChemExpress. Available pack sizes: 5mg, on request, Get quote.

Structural formula: {0} (CAS {1})

2-[[(4R)-4-[(3R,5S,8R,9S,10S,13R,14S,17R)-3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]ethanesulfonic acid (CAS 69320-22-5) is a chemical compound with the molecular formula C26H45NO5S and a molecular weight of 483.7 g/mol. IUPAC name: 2-[[(4R)-4-[(3R,5S,8R,9S,10S,13R,14S,17R)-3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]ethanesulfonic acid. InChIKey: QBYUNVOYXHFVKC-ISFVBOKISA-N.

Identity
Molecular formulaC26H45NO5S
Molecular weight483.7 g/mol
IUPAC name2-[[(4R)-4-[(3R,5S,8R,9S,10S,13R,14S,17R)-3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]ethanesulfonic acid
InChIKeyQBYUNVOYXHFVKC-ISFVBOKISA-N
SMILESC[C@H](CCC(=O)NCCS(=O)(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@@H]4[C@@]3(CC[C@H](C4)O)C)C

Computed by PubChem (NCBI)

Synonyms: orb3144944