Cyclohexanecarboxylicacid

cas: 1241-87-8 — see every product listed under this CAS number, including other names

Cyclohexanecarboxylicacid (CAS 1241-87-8) is a chemical reagent available from Chemat. Available pack sizes: 10mg. Offered by: GLPBio.

brandGLPBio
catalog numberGN10178-10
cas1241-87-8
size10mg
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Available pack sizes

brand size price
GLPBio 10mg 1364.64 Pln

properties

purityNo data
delivery timeTo be confirmed by Chemat
Structural formula: {0} (CAS {1})

1-O-caffeoylquinic acid is an alkyl caffeate ester obtained by the formal condensation of the carboxy group of trans-caffeic acid with the 1-hydroxy group of ()-quinic acid. It has a role as a Camellia sinensis metabolite, an antioxidant, an antineoplastic agent and a NF-kappaB inhibitor. It is a quinic acid and an alkyl caffeate ester. It is functionally related to a trans-caffeic acid. It derives from a hydride of a (-)-quinic acid.

Source: ChEBI

Identity
Molecular formulaC16H18O9
Molecular weight354.31 g/mol
IUPAC nametrans-(3R,5R)-1-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-3,4,5-trihydroxycyclohexane-1-carboxylic acid
InChIKeyGWTUHAXUUFROTF-AVXJPILUSA-N
SMILESC1[C@H](C([C@@H](CC1(C(=O)O)OC(=O)/C=C/C2=CC(=C(C=C2)O)O)O)O)O

Computed by PubChem (NCBI)

Synonyms: Npc233393, 1-Caffeoylquinic acid, 1-O-caffeoylquinic acid, trans-1-o-Caffeoylquinic acid, 1-Cqa, 1-O-Caffeoyl quinic acid, 1-O-caffeoyl-quinic acid, Quinic acid, 1-caffeoyl-, orb1218996, orb1297584
Isomers (same molecular formula)
trans-(3R,5R)-4-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-1,3,5-trihydroxycyclohexane-1-carboxylic acid C16H18O9
(1S,3R,4R,5R)-3-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-1,4,5-trihydroxycyclohexane-1-carboxylic acid C16H18O9
(1S,3R,4R,5R)-3-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-1,4,5-trihydroxycyclohexane-1-carboxylic acid C16H18O9
bis(3,5-dihydroxy-4-methylbenzoic acid);hydrate C16H18O9
6-methoxy-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-2-one C16H18O9
(1R,3R,4S,5R)-3-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-1,4,5-trihydroxycyclohexane-1-carboxylic acid C16H18O9
5,7-dihydroxy-2-methyl-6-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-4-one C16H18O9

Also listed as

1-Caffeoylquinic Acid Chemat Brand CAS 1241-87-8
1-Caffeoylquinic acid/ 99.16% (existing batch purity) TargetMol CAS 1241-87-8
(1α,3R,4α,5R)-1-((3-(3,4-Dihydroxyphenyl)acryloyl)oxy)-3,4,5-trihydroxycyclohexane-1-carboxylic acid, 99.16% ,, 99.16% , Chemat CAS 1241-87-8
1-Caffeoylquinic acid (Standard) MedChemExpress CAS 1241-87-8
1-Caffeoylquinic acid, 99.54% MedChemExpress CAS 1241-87-8