Products 2707415-30-1

CAS 2707415-30-1 is the registry number for Tauroisolithocholanoic acid (sodium). Offered by: MedChemExpress. Available pack sizes: Get quote.

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

Sodium 2-[[(4R)-4-[(3S,5R,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]ethanesulfonate (CAS 2707415-30-1) is a chemical compound with the molecular formula C26H44NNaO5S and a molecular weight of 505.7 g/mol. IUPAC name: sodium 2-[[(4R)-4-[(3S,5R,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]ethanesulfonate. InChIKey: YAERYJYXPRIDTO-QYAGTQHOSA-M.

Identity
Molecular formulaC26H44NNaO5S
Molecular weight505.7 g/mol
IUPAC namesodium 2-[[(4R)-4-[(3S,5R,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]ethanesulfonate
InChIKeyYAERYJYXPRIDTO-QYAGTQHOSA-M
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.[Na+]

Computed by PubChem (NCBI)

Synonyms: orb3145015