3-O-P-COUMAROYLQUINIC ACID

cas: 1899-30-5 — see every product listed under this CAS number, including other names

3-O-P-COUMAROYLQUINIC ACID (CAS 1899-30-5) is a chemical reagent available from Chemat. Available pack sizes: 250MG, 50MG. Offered by: Sigma-Aldrich.

brandSigma-Aldrich
catalog number935557-250MG
cas1899-30-5
size250MG
availability availability
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Available pack sizes

brand size price
Sigma-Aldrich 250MG 1770.00 Pln
Sigma-Aldrich 50MG 540.00 Pln

properties

purityNo data
delivery time1-2 weeks (only if in stock, to check click on availability)
Structural formula: {0} (CAS {1})

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 formulaC16H18O8
Molecular weight338.31 g/mol
IUPAC name(1S,3R,4R,5R)-1,3,4-trihydroxy-5-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxycyclohexane-1-carboxylic acid
InChIKeyBMRSEYFENKXDIS-OTCYKTEZSA-N
SMILESC1[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)

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