3,5-Di-O-caffeoylquinic Acid Methyl Ester

cas: 159934-13-1 — see every product listed under this CAS number, including other names

3,5-Di-O-caffeoylquinic Acid Methyl Ester (CAS 159934-13-1) is a chemical reagent available from Chemat. Available pack sizes: 100mg, 5mg, 1mg, 2mg. Offered by: TRC, TargetMol, Biosynth.

brandTRC
catalog numberTRC-D214630-100MG
cas159934-13-1
size100mg
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Available pack sizes

brand size price
TRC 100mg price on request
TargetMol 5mg 10533.12 Pln
Biosynth 1mg price on request
Biosynth 2mg price on request
Biosynth 5mg price on request

properties

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

Methyl 3,5-di-O-caffeoyl quinate is a methyl ester resulting from the formal condensation of the carboxy group of 3,5-di-O-caffeoyl quinic acid with methanol. Isolated from Suaeda glauca and Dichrocephala bicolor, it exhibits hepatoprotective activity. It has a role as a metabolite and a hepatoprotective agent. It is a methyl ester, a tertiary alcohol, a member of catechols, a secondary alcohol and a cinnamate ester. It is functionally related to a 3,5-di-O-caffeoyl quinic acid.

Source: ChEBI

Identity
Molecular formulaC26H26O12
Molecular weight530.5 g/mol
IUPAC nametrans-methyl (3R,5R)-3,5-bis[[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy]-1,4-dihydroxycyclohexane-1-carboxylate
InChIKeyVEBNYMXKXIIGFX-IYVYCCGLSA-N
SMILESCOC(=O)C1(C[C@H](C([C@@H](C1)OC(=O)/C=C/C2=CC(=C(C=C2)O)O)O)OC(=O)/C=C/C3=CC(=C(C=C3)O)O)O

Computed by PubChem (NCBI)

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