4-O-P-COUMAROYLQUINIC ACID

cas: 53539-37-0 — see every product listed under this CAS number, including other names

4-O-P-COUMAROYLQUINIC ACID (CAS 53539-37-0) is a chemical reagent available from Chemat. Available pack sizes: 50MG. Offered by: Sigma-Aldrich.

brandSigma-Aldrich
catalog number935565-50MG
cas53539-37-0
size50MG
availability availability
Documents: Safety Data Sheet (MSDS)
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Available pack sizes

brand size price
Sigma-Aldrich 50MG 506.00 Pln

properties

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

Trans-(3R,5R)-1,3,5-trihydroxy-4-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxycyclohexane-1-carboxylic acid (CAS 53539-37-0) is a chemical compound with the molecular formula C16H18O8 and a molecular weight of 338.31 g/mol. IUPAC name: trans-(3R,5R)-1,3,5-trihydroxy-4-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxycyclohexane-1-carboxylic acid. InChIKey: XWRHBGVVCOSNKO-OPGYGNEESA-N.

Identity
Molecular formulaC16H18O8
Molecular weight338.31 g/mol
IUPAC nametrans-(3R,5R)-1,3,5-trihydroxy-4-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxycyclohexane-1-carboxylic acid
InChIKeyXWRHBGVVCOSNKO-OPGYGNEESA-N
SMILESC1[C@H](C([C@@H](CC1(C(=O)O)O)O)OC(=O)/C=C/C2=CC=C(C=C2)O)O

Computed by PubChem (NCBI)

Synonyms: Npc200561, 4-p-Coumaroylquinic acid, 4-O-p-Coumaroylquinic acid, 4-o-Coumaroylquinic acid, 4-Coumaroylquinic acid, 4-p-Cqa, trans-4-p-coumaroylquinic acid, 4'-coumaroylquinic acid, trans, MEGxp0_000071, orb2893533
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
(1S,3R,4R,5R)-1,3,4-trihydroxy-5-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxycyclohexane-1-carboxylic acid 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
(1R,3R,4S,5R)-1,3,4-trihydroxy-5-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxycyclohexane-1-carboxylic acid C16H18O8
4-[2-(3-carboxypropoxycarbonyl)benzoyl]oxybutanoic acid C16H18O8
(1S,3R,4R,5R)-1,3,4-trihydroxy-5-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxycyclohexane-1-carboxylic acid C16H18O8
5-(methoxymethyl)-4-[2,3,4-trihydroxy-6-(methoxymethyl)phenyl]benzene-1,2,3-triol C16H18O8
(3S,4S,5S)-2-(1,4-dihydroxynaphthalen-2-yl)oxy-6-(hydroxymethyl)oxane-3,4,5-triol C16H18O8

Also listed as

4-O-p-Coumaroylquinic acid/ 99.8% (existing batch purity) TargetMol CAS 53539-37-0
4–O–p–Coumaroylquinic acid GLPBio CAS 53539-37-0
4-O-p-Coumaroylquinic acid, 99.80% ,, 99.80% , Chemat CAS 53539-37-0
4-O-p-Coumaroylquinic acid, 99.59% MedChemExpress CAS 53539-37-0