Products 95753-52-9

CAS 95753-52-9 is the registry number for (3R,4S,5R)-4-Hydroxy-3,5-bis((3,4,5-trihydroxybenzoyl)oxy)cyclohex-1-ene-1-carboxylic acid, 98%. Offered by: Chemat Brand. Available pack sizes: on request.

(3R,4S,5R)-4-Hydroxy-3,5-bis((3,4,5-trihydroxybenzoyl)oxy)cyclohex-1-ene-1-carboxylic acid, 98%
Chemat Brand
  • size: on request
  • Variants: 1
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(3R,4S,5R)-4-hydroxy-3,5-bis[(3,4,5-trihydroxybenzoyl)oxy]cyclohexene-1-carboxylic acid (CAS 95753-52-9) is a chemical compound with the molecular formula C21H18O13 and a molecular weight of 478.4 g/mol. IUPAC name: (3R,4S,5R)-4-hydroxy-3,5-bis[(3,4,5-trihydroxybenzoyl)oxy]cyclohexene-1-carboxylic acid. InChIKey: GASRJYBPBZZTBO-IIDMSEBBSA-N.

Identity
Molecular formulaC21H18O13
Molecular weight478.4 g/mol
IUPAC name(3R,4S,5R)-4-hydroxy-3,5-bis[(3,4,5-trihydroxybenzoyl)oxy]cyclohexene-1-carboxylic acid
InChIKeyGASRJYBPBZZTBO-IIDMSEBBSA-N
SMILESC1[C@H]([C@@H]([C@@H](C=C1C(=O)O)OC(=O)C2=CC(=C(C(=C2)O)O)O)O)OC(=O)C3=CC(=C(C(=C3)O)O)O

Computed by PubChem (NCBI)

Synonyms: 3,5-Di-O-galloylshikimic acid, orb1992687, 3,5-Di-O-galloylshikimic acid, >=95% (LC/MS-ELSD)
Isomers (same molecular formula)
(3R,4R,5R)-3-hydroxy-4,5-bis[(3,4,5-trihydroxybenzoyl)oxy]cyclohexene-1-carboxylic acid C21H18O13
(2S,3S,4S,5R,6S)-6-[2-(3,4-dihydroxyphenyl)-3,5-dihydroxy-4-oxochromen-7-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid C21H18O13