Products 75672-37-6

CAS 75672-37-6 is the registry number for 12-Hydroxy Taurolithocholic Acid O-3-Glucuronide Dipotassium Salt. Offered by: TRC. Available pack sizes: 50mg.

12-Hydroxy Taurolithocholic Acid O-3-Glucuronide Dipotassium Salt
TRC
  • size: 50mg
  • Variants: 1
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Structural formula: {0} (CAS {1})

Dipotassium;(2S,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[[(3R,5R,10S,12S,13R,14S,17R)-12-hydroxy-10,13-dimethyl-17-[(2R)-5-oxo-5-(2-sulfonatoethylamino)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 75672-37-6) is a chemical compound with the molecular formula C32H51K2NO12S and a molecular weight of 752.0 g/mol. IUPAC name: dipotassium;(2S,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[[(3R,5R,10S,12S,13R,14S,17R)-12-hydroxy-10,13-dimethyl-17-[(2R)-5-oxo-5-(2-sulfonatoethylamino)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: MMOOHENTEBMFGJ-PYRBBINHSA-L.

Identity
Molecular formulaC32H51K2NO12S
Molecular weight752.0 g/mol
IUPAC namedipotassium;(2S,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[[(3R,5R,10S,12S,13R,14S,17R)-12-hydroxy-10,13-dimethyl-17-[(2R)-5-oxo-5-(2-sulfonatoethylamino)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
InChIKeyMMOOHENTEBMFGJ-PYRBBINHSA-L
SMILESC[C@H](CCC(=O)NCCS(=O)(=O)[O-])[C@H]1CC[C@@H]2[C@@]1([C@H](CC3C2CC[C@H]4[C@@]3(CC[C@H](C4)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)C(=O)[O-])O)O)O)C)O)C.[K+].[K+]

Computed by PubChem (NCBI)

Synonyms: 12-Hydroxy Taurolithocholic Acid O-3-Glucuronide Dipotassium Salt, 12-HydroxyTaurolithocholicAcidO-3-GlucuronideDipotassiumSalt
Isomers (same molecular formula)
dipotassium;(2S,3S,5R,6R)-3,4,5-trihydroxy-6-[[(3R,5R,7S,8R,9S,10S,13R,14S,17R)-7-hydroxy-10,13-dimethyl-17-[(2R)-5-oxo-5-(2-sulfonatoethylamino)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 C32H51K2NO12S