Products 75672-22-9

CAS 75672-22-9 appears in our catalog under these names: Glycochenodeoxycholic Acid-3-O-Beta-glucuronide Disodium Salt, >95% (HPLC), Glycochenodeoxycholic acid 3-glucuronide (disodium). Offered by: TRC, MedChemExpress. Available pack sizes: 0,5mg, 10mg, 2,5mg, 500 μg.

Glycochenodeoxycholic Acid-3-O-Beta-glucuronide Disodium Salt, >95% (HPLC)
TRC
  • size: 0,5mg, 10mg, 2,5mg
  • Variants: 3
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Glycochenodeoxycholic acid 3-glucuronide (disodium)
MedChemExpress
  • size: 500 μg
  • Variants: 1
from 2678.84
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Structural formula: {0} (CAS {1})

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 (CAS 75672-22-9) is a chemical compound with the molecular formula C32H49NNa2O11 and a molecular weight of 669.7 g/mol. IUPAC name: 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. InChIKey: YPUKWXLTSDERSV-XXYGEDCSSA-L.

Identity
Molecular formulaC32H49NNa2O11
Molecular weight669.7 g/mol
IUPAC namedisodium;(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
InChIKeyYPUKWXLTSDERSV-XXYGEDCSSA-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@H]([C@@H]([C@H](O5)C(=O)[O-])O)O)O)C)O)C.[Na+].[Na+]

Computed by PubChem (NCBI)

Synonyms: Glycochenodeoxycholic Acid-3-O-beta-glucuronide Disodium Salt, Glycochenodeoxycholic Acid-3-O-?-glucuronide Disodium Salt
Related forms of this compound
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 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