Products 1217463-87-0

CAS 1217463-87-0 is the registry number for (2-(5-Carboxy-2-ethylpentylcarboxy))benzoyl Glucuronide. Offered by: TRC. Available pack sizes: 25mg.

(2-(5-Carboxy-2-ethylpentylcarboxy))benzoyl Glucuronide
TRC
  • size: 25mg
  • Variants: 1
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Structural formula: {0} (CAS {1})

(2S,3S,5R,6S)-6-[2-(5-carboxy-2-ethylpentoxy)carbonylbenzoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid (CAS 1217463-87-0) is a chemical compound with the molecular formula C22H28O12 and a molecular weight of 484.4 g/mol. IUPAC name: (2S,3S,5R,6S)-6-[2-(5-carboxy-2-ethylpentoxy)carbonylbenzoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid. InChIKey: JAKPCOPXGPWMAW-XBLXXUSVSA-N.

Identity
Molecular formulaC22H28O12
Molecular weight484.4 g/mol
IUPAC name(2S,3S,5R,6S)-6-[2-(5-carboxy-2-ethylpentoxy)carbonylbenzoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
InChIKeyJAKPCOPXGPWMAW-XBLXXUSVSA-N
SMILESCCC(CCCC(=O)O)COC(=O)C1=CC=CC=C1C(=O)O[C@H]2[C@@H](C([C@@H]([C@H](O2)C(=O)O)O)O)O

Computed by PubChem (NCBI)

Synonyms: [2-(5-Carboxy-2-ethylpentylcarboxy)]benzoyl Glucuronide, [2-(5-Carboxy-2-ethylpentylcarboxy)]benzoylGlucuronide
Isomers (same molecular formula)
7-[3,4-dihydroxy-6-(hydroxymethyl)-5-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl]oxy-4-methylchromen-2-one C22H28O12
7-[(2S,3R,4S,5S,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-4-methylchromen-2-one C22H28O12
7-[(2S,5R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,5R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-4-methylchromen-2-one C22H28O12