Products 1899-30-5

CAS 1899-30-5 appears in our catalog under these names: 3–O–p–Coumaroylquinic acid, 3-p-Coumaroylquinic acid, 3-O-P-COUMAROYLQUINIC ACID, 3-p-Coumaroylquinic acid, ≥95%, ≥95%, 3-p-Coumaroylquinic acid, 98.29%. Offered by: GLPBio, Chemat Brand, Biosynth, Sigma-Aldrich, Chemat. Available pack sizes: 5mg, on request, 1mg, 10mg, 25mg, 250MG, 50MG, 10 mg.

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)