(1S,3R,4R,5R)-1,3,4-Trihydroxy-5-(((E)-3-(4-hydroxyphenyl)acryloyl)oxy)cyclohexanecarboxylic acid, 99%

cas: 5746-55-4 — see every product listed under this CAS number, including other names

(1S,3R,4R,5R)-1,3,4-Trihydroxy-5-(((E)-3-(4-hydroxyphenyl)acryloyl)oxy)cyclohexanecarboxylic acid, 99% (CAS 5746-55-4) is a chemical reagent available from Chemat. Available pack sizes: 1mg, 5mg, 10mg, 25mg, 50mg. Offered by: Chemat, BLDpharm.

• 2D
• 3D

5-p-coumaroylquinic acid is a cinnamate ester obtained by formal condensation of the carboxy group of 4-coumaric acid with the 5-hydroxy group of ()-quinic acid. It has a role as a metabolite. It is a cinnamate ester and a cyclitol carboxylic acid. It is functionally related to a (-)-quinic acid and a 4-coumaric acid.

Source: ChEBI

Identity

Molecular formula	C16H18O8
Molecular weight	338.31 g/mol
IUPAC name	(1S,3R,4R,5R)-1,3,4-trihydroxy-5-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxycyclohexane-1-carboxylic acid
InChIKey	BMRSEYFENKXDIS-OTCYKTEZSA-N
SMILES	C1[C@H]([C@H]([C@@H](C[C@@]1(C(=O)O)O)OC(=O)/C=C/C2=CC=C(C=C2)O)O)O

Computed by PubChem (NCBI)

Synonyms: 2-Coumaroylquinic acid, 5-O-(E)-p-Coumaroylquinic acid, trans-5-O-(4-coumaroyl)-D-quinic acid, p-Coumaroyl quinic acid, 3-O-p-Coumaroylquinic acid, o-Coumaroylquinic acid, 3-O-Coumaroylquinic acid, Coumaroylquinic acid, p-coumaroyl-quinic acid, 3-O-9-coumaroylquinic acid

Related forms of this compound

(1S,3R,4R,5R)-1,3,4-trihydroxy-5-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxycyclohexane-1-carboxylic acid C₁₆H₁₈O₈

(1R,3R,4S,5R)-1,3,4-trihydroxy-5-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxycyclohexane-1-carboxylic acid C₁₆H₁₈O₈

(1S,3R,4R,5R)-1,3,4-trihydroxy-5-[3-(4-hydroxyphenyl)prop-2-enoyloxy]cyclohexane-1-carboxylic acid C₁₆H₁₈O₈

Isomers (same molecular formula)

4-methyl-7-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-2-one C₁₆H₁₈O₈

4-methyl-7-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-2-one C₁₆H₁₈O₈

4-methyl-7-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-2-one C₁₆H₁₈O₈

4-methyl-7-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-2-one C₁₆H₁₈O₈

4-methyl-7-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-2-one C₁₆H₁₈O₈

4-methyl-7-[(2S,3R,4S,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-2-one C₁₆H₁₈O₈

4-[2-(3-carboxypropoxycarbonyl)benzoyl]oxybutanoic acid C₁₆H₁₈O₈

5-(methoxymethyl)-4-[2,3,4-trihydroxy-6-(methoxymethyl)phenyl]benzene-1,2,3-triol C₁₆H₁₈O₈

trans-(3R,5R)-1,3,5-trihydroxy-4-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxycyclohexane-1-carboxylic acid C₁₆H₁₈O₈