Products 59274-67-8

CAS 59274-67-8 appears in our catalog under these names: Deoxycholic Acid 3-O-Beta-D-Glucuronide Disodium Salt, >95% (HPLC), Deoxycholic acid 3-O-β-D-glucuronide (disodium). Offered by: TRC, MedChemExpress. Available pack sizes: 10mg, 1mg, 5mg, 1 mg.

Deoxycholic Acid 3-O-Beta-D-Glucuronide Disodium Salt, >95% (HPLC)
TRC
  • size: 10mg, 1mg, 5mg
  • Variants: 3
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Deoxycholic acid 3-O-β-D-glucuronide (disodium)
MedChemExpress
  • size: 1 mg
  • Variants: 1
from 1299.58
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Structural formula: {0} (CAS {1})

Disodium;(2S,3S,4S,5R,6R)-6-[[(3R,5R,10S,12S,13R,14S,17R)-17-[(2R)-4-carboxylatobutan-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 (CAS 59274-67-8) is a chemical compound with the molecular formula C30H46Na2O10 and a molecular weight of 612.7 g/mol. IUPAC name: disodium;(2S,3S,4S,5R,6R)-6-[[(3R,5R,10S,12S,13R,14S,17R)-17-[(2R)-4-carboxylatobutan-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. InChIKey: ZBOZNAKXKYVSMI-FVWMAUHXSA-L.

Identity
Molecular formulaC30H46Na2O10
Molecular weight612.7 g/mol
IUPAC namedisodium;(2S,3S,4S,5R,6R)-6-[[(3R,5R,10S,12S,13R,14S,17R)-17-[(2R)-4-carboxylatobutan-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
InChIKeyZBOZNAKXKYVSMI-FVWMAUHXSA-L
SMILESC[C@H](CCC(=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.[Na+].[Na+]

Computed by PubChem (NCBI)

Synonyms: Deoxycholic Acid 3-O-beta-D-Glucuronide Disodium Salt, Deoxycholic Acid 3-O-b-D-Glucuronide Disodium Salt
Isomers (same molecular formula)
disodium;(2S,3S,4S,5R,6R)-6-[[(3R,5R,7S,8R,9S,10S,13R,14S,17R)-17-[(2R)-4-carboxylatobutan-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 C30H46Na2O10