Taurochenodeoxycholic Acid-3-O-beta-glucuronide Dipotassium Salt

cas: 75672-23-0 — see every product listed under this CAS number, including other names

Taurochenodeoxycholic Acid-3-O-beta-glucuronide Dipotassium Salt (CAS 75672-23-0) is a chemical reagent available from Chemat. Available pack sizes: 100mg. Offered by: TRC.

brandTRC
catalog numberTRC-T008140-100MG
cas75672-23-0
size100mg
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Structural formula: {0} (CAS {1})

Dipotassium;(2S,3S,5R,6R)-3,4,5-trihydroxy-6-[[(3R,5S,7R,8R,9S,10S,13R,14S,17R)-7-hydroxy-10,13-dimethyl-17-[(2R)-5-oxo-5-(sulfonatomethylamino)pentan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]oxane-2-carboxylate (CAS 75672-23-0) is a chemical compound with the molecular formula C31H49K2NO12S and a molecular weight of 738.0 g/mol. IUPAC name: dipotassium;(2S,3S,5R,6R)-3,4,5-trihydroxy-6-[[(3R,5S,7R,8R,9S,10S,13R,14S,17R)-7-hydroxy-10,13-dimethyl-17-[(2R)-5-oxo-5-(sulfonatomethylamino)pentan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]oxane-2-carboxylate. InChIKey: KANOHAPUOBPJFH-JYXKZNQLSA-L.

Identity
Molecular formulaC31H49K2NO12S
Molecular weight738.0 g/mol
IUPAC namedipotassium;(2S,3S,5R,6R)-3,4,5-trihydroxy-6-[[(3R,5S,7R,8R,9S,10S,13R,14S,17R)-7-hydroxy-10,13-dimethyl-17-[(2R)-5-oxo-5-(sulfonatomethylamino)pentan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]oxane-2-carboxylate
InChIKeyKANOHAPUOBPJFH-JYXKZNQLSA-L
SMILESC[C@H](CCC(=O)NCS(=O)(=O)[O-])[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2[C@@H](C[C@@H]4[C@@]3(CC[C@H](C4)O[C@H]5[C@@H](C([C@@H]([C@H](O5)C(=O)[O-])O)O)O)C)O)C.[K+].[K+]

Computed by PubChem (NCBI)

Synonyms: Taurochenodeoxycholic Acid-3-O-?-glucuronide Dipotassium Salt, TaurochenodeoxycholicAcid-3-O-beta-glucuronideDipotassiumSalt