Products 168417-80-9

CAS 168417-80-9 is the registry number for Ursodeoxycholic Acid Impurity 52. Offered by: Chemat Brand. Available pack sizes: on request.

Ursodeoxycholic Acid Impurity 52
Chemat Brand
  • size: on request
  • Variants: 1
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Structural formula: {0} (CAS {1})

(3R,5S,7R,8R,9S,10S,13R,14S,17R)-17-[(2R)-butan-2-yl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,7-diol (CAS 168417-80-9) is a chemical compound with the molecular formula C23H40O2 and a molecular weight of 348.6 g/mol. IUPAC name: (3R,5S,7R,8R,9S,10S,13R,14S,17R)-17-[(2R)-butan-2-yl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,7-diol. InChIKey: FJJYUWAAXREYNR-VEPRGJRUSA-N.

Identity
Molecular formulaC23H40O2
Molecular weight348.6 g/mol
IUPAC name(3R,5S,7R,8R,9S,10S,13R,14S,17R)-17-[(2R)-butan-2-yl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,7-diol
InChIKeyFJJYUWAAXREYNR-VEPRGJRUSA-N
SMILESCC[C@@H](C)[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)O)C

Computed by PubChem (NCBI)

Isomers (same molecular formula)
1,3-dimethoxy-5-pentadecylbenzene C23H40O2