Products 96646-16-1

CAS 96646-16-1 is the registry number for 4-O-(E)-Feruloylquinic Acid (~90%). Offered by: TRC. Available pack sizes: 10mg, 1mg, 5mg.

4-O-(E)-Feruloylquinic Acid (~90%)
TRC
  • size: 10mg, 1mg, 5mg
  • Variants: 3
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Structural formula: {0} (CAS {1})

4-O-feruloylquinic acid is an organic molecular entity.

Source: ChEBI

Identity
Molecular formulaC17H20O9
Molecular weight368.3 g/mol
IUPAC nametrans-(3R,5R)-1,3,5-trihydroxy-4-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxycyclohexane-1-carboxylic acid
InChIKeyVTMFDSJJVNQXLT-XQCMRRNBSA-N
SMILESCOC1=C(C=CC(=C1)/C=C/C(=O)OC2[C@@H](CC(C[C@H]2O)(C(=O)O)O)O)O

Computed by PubChem (NCBI)

Synonyms: 4-O-Feruloylquinic acid, 4-Feruloylquinic acid, 4-O-feruloyl-D-quinic acid, 4-O-(E)-Feruloylquinic Acid (~90%), O-Feruloylquinate, orb1297489, orb3178318
Isomers (same molecular formula)
(1R,3R,4S,5R)-1,3,4-trihydroxy-5-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxycyclohexane-1-carboxylic acid C17H20O9
(1R,3R,4S,5R)-1,3,4-trihydroxy-5-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxycyclohexane-1-carboxylic acid C17H20O9
(1S,3R,4R,5R)-1,3,4-trihydroxy-5-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxycyclohexane-1-carboxylic acid C17H20O9
methyl (1S,3R,4R,5R)-3-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-1,4,5-trihydroxycyclohexane-1-carboxylate C17H20O9
(1S,3R,4R,5R)-3-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-4,5-dihydroxy-1-methoxycyclohexane-1-carboxylic acid C17H20O9
methyl (1R,3R,4S,5R)-3-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-1,4,5-trihydroxycyclohexane-1-carboxylate C17H20O9
methyl (1S,3R,4R,5R)-3-[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-1,4,5-trihydroxycyclohexane-1-carboxylate C17H20O9