5-O-Caffeoylshikimic acid (Standard)

cas: 73263-62-4 — see every product listed under this CAS number, including other names

5-O-Caffeoylshikimic acid (Standard) (CAS 73263-62-4) is a chemical reagent available from Chemat. Available pack sizes: Get quote. Offered by: MedChemExpress.

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cas73263-62-4
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5-[(E)-caffeoyl]shikimic acid is a carboxylic ester obtained by formal condensation of the carboxy group of (E)-caffeic acid with the 5-hydroxy group of shikimic acid. It has a role as a plant metabolite. It is a cyclohexenecarboxylic acid, a carboxylic ester, a member of catechols and an alpha,beta-unsaturated monocarboxylic acid. It is functionally related to a shikimic acid and a trans-caffeic acid. It is a conjugate acid of a 5-[(E)-caffeoyl]shikimate.

Source: ChEBI

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

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