Products 2270232-93-2

CAS 2270232-93-2 appears in our catalog under these names: Obeticholic Acid 3-O-Glucuronide, Obeticholic Acid 3-O-Acyl-beta-D-glucuronide, Obeticholic acid 3-O-β-D-glucuronide. Offered by: Chemat Brand, TRC, Chemat. Available pack sizes: on request, 100mg, 10mg, 1mg, 2mg, 5mg.

Obeticholic Acid 3-O-Glucuronide
Chemat Brand
  • size: on request
  • Variants: 1
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Obeticholic Acid 3-O-Acyl-beta-D-glucuronide
TRC
  • size: 100mg
  • Variants: 1
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Obeticholic acid 3-O-β-D-glucuronide
Chemat
  • size: 10mg, 1mg, 2mg, 5mg
  • Variants: 4
from 1582.78
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Structural formula: {0} (CAS {1})

(2S,3S,4S,5R,6R)-6-[[(3R,5S,6R,7R,8S,9S,10S,13R,14S,17R)-17-[(2R)-4-carboxybutan-2-yl]-6-ethyl-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-carboxylic acid (CAS 2270232-93-2) is a chemical compound with the molecular formula C32H52O10 and a molecular weight of 596.7 g/mol. IUPAC name: (2S,3S,4S,5R,6R)-6-[[(3R,5S,6R,7R,8S,9S,10S,13R,14S,17R)-17-[(2R)-4-carboxybutan-2-yl]-6-ethyl-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-carboxylic acid. InChIKey: LUPCZPBQZKHSGM-QGDCDQHMSA-N.

Identity
Molecular formulaC32H52O10
Molecular weight596.7 g/mol
IUPAC name(2S,3S,4S,5R,6R)-6-[[(3R,5S,6R,7R,8S,9S,10S,13R,14S,17R)-17-[(2R)-4-carboxybutan-2-yl]-6-ethyl-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-carboxylic acid
InChIKeyLUPCZPBQZKHSGM-QGDCDQHMSA-N
SMILESCC[C@@H]1[C@@H]2C[C@@H](CC[C@@]2([C@H]3CC[C@]4([C@H]([C@@H]3[C@@H]1O)CC[C@@H]4[C@H](C)CCC(=O)O)C)C)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)C(=O)O)O)O)O

Computed by PubChem (NCBI)

Synonyms: Obeticholic acid 3-glucuronide, Obeticholic Acid 3-O-Acyl-beta-D-glucuronide, Obeticholic acid-3-beta-D-glucuronide