Glycoursodeoxycholic Acid-3-O-beta-glucuronide Disodium Salt

cas: 75672-31-0 — see every product listed under this CAS number, including other names

Glycoursodeoxycholic Acid-3-O-beta-glucuronide Disodium Salt (CAS 75672-31-0) is a chemical reagent available from Chemat. Available pack sizes: 100mg. Offered by: TRC.

brandTRC
catalog numberTRC-G679555-100MG
cas75672-31-0
size100mg
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Structural formula: {0} (CAS {1})

Disodium;(2S,3S,5R,6R)-6-[[(3R,5R,7S,8R,9S,10S,13R,14S,17R)-17-[(2R)-5-(carboxylatomethylamino)-5-oxopentan-2-yl]-7-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylate (CAS 75672-31-0) is a chemical compound with the molecular formula C32H49NNa2O11 and a molecular weight of 669.7 g/mol. IUPAC name: disodium;(2S,3S,5R,6R)-6-[[(3R,5R,7S,8R,9S,10S,13R,14S,17R)-17-[(2R)-5-(carboxylatomethylamino)-5-oxopentan-2-yl]-7-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylate. InChIKey: YPUKWXLTSDERSV-OVTYVMLKSA-L.

Identity
Molecular formulaC32H49NNa2O11
Molecular weight669.7 g/mol
IUPAC namedisodium;(2S,3S,5R,6R)-6-[[(3R,5R,7S,8R,9S,10S,13R,14S,17R)-17-[(2R)-5-(carboxylatomethylamino)-5-oxopentan-2-yl]-7-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylate
InChIKeyYPUKWXLTSDERSV-OVTYVMLKSA-L
SMILESC[C@H](CCC(=O)NCC(=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.[Na+].[Na+]

Computed by PubChem (NCBI)

Synonyms: Glycoursodeoxycholic Acid-3-O-?-glucuronide Disodium Salt, GlycoursodeoxycholicAcid-3-O-beta-glucuronideDisodiumSalt
Related forms of this compound
disodium;(2S,3S,4S,5R,6R)-6-[[(3R,5R,7R,8R,9S,10S,13R,14S,17R)-17-[(2R)-5-(carboxylatomethylamino)-5-oxopentan-2-yl]-7-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylate C32H49NNa2O11
Isomers (same molecular formula)
disodium;(2S,3S,5R,6R)-6-[[(3R,5R,8R,9S,10S,12S,13R,14S,17R)-17-[(2R)-5-(carboxylatomethylamino)-5-oxopentan-2-yl]-12-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylate C32H49NNa2O11