Products 180842-65-3

CAS 180842-65-3 appears in our catalog under these names: (3R,4S,5R)-4-(((2E)-3-(3,4-Dihydroxyphenyl)-1-oxo-2-propen-1-yl)oxy)-3,5-dihydroxy-1-cyclohexene-1-carboxylic Acid, 4-O-Caffeoylshikimic Acid. Offered by: TRC, Biosynth. Available pack sizes: 100mg, 500mg.

(3R,4S,5R)-4-(((2E)-3-(3,4-Dihydroxyphenyl)-1-oxo-2-propen-1-yl)oxy)-3,5-dihydroxy-1-cyclohexene-1-carboxylic Acid
TRC
  • size: 100mg
  • Variants: 1
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4-O-Caffeoylshikimic Acid
TRC, Biosynth
  • size: 100mg, 500mg
  • Variants: 2
View product
Structural formula: {0} (CAS {1})

4-O-Caffeoylshikimic acid is a hydroxycinnamic acid.

Source: ChEBI

Identity
Molecular formulaC16H16O8
Molecular weight336.29 g/mol
IUPAC name(3R,4S,5R)-4-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-3,5-dihydroxycyclohexene-1-carboxylic acid
InChIKeyVTURJKQJEXSKNY-GDDAOPKQSA-N
SMILESC1[C@H]([C@@H]([C@@H](C=C1C(=O)O)O)OC(=O)/C=C/C2=CC(=C(C=C2)O)O)O

Computed by PubChem (NCBI)

Synonyms: 4-o-caffeoylshikimic acid, 4-caffeoylshikimic acid, trans-4-o-Caffeoylshikimic acid, Isodattelic acid, Isodactylifric acid, 4-O-Caffeoylshikimate, orb1984242
Isomers (same molecular formula)
(3R,4S,5R)-3-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-4,5-dihydroxycyclohexene-1-carboxylic acid C16H16O8
(3R,4R,5R)-5-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-3,4-dihydroxycyclohexene-1-carboxylic acid C16H16O8
(1S,2R,3S,4R)-1,2,3,4,8-pentahydroxy-6-methoxy-3-methyl-2,4-dihydro-1H-anthracene-9,10-dione C16H16O8
(5S,6R,7S)-5,6,7,9,10-pentahydroxy-2-methoxy-7-methyl-6,8-dihydro-5H-anthracene-1,4-dione C16H16O8
(1,4-dihydroxy-7-oxo-6-oxabicyclo[3.2.1]octan-3-yl) 3-(3,4-dihydroxyphenyl)prop-2-enoate C16H16O8
[6-[(E)-1-acetyloxy-3-methyl-4-oxobut-2-enyl]-2,5-dioxo-7-oxabicyclo[4.1.0]hept-3-en-3-yl]methyl acetate C16H16O8
methyl 2-[7-(2-methoxy-2-oxoethoxy)-4-methyl-2-oxochromen-6-yl]oxyacetate C16H16O8