3,5-Di-O-caffeoylquinic acid methyl ester, ≥95%

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

3,5-Di-O-caffeoylquinic acid methyl ester, ≥95% (CAS 159934-13-1) is a chemical reagent available from Chemat. Available pack sizes: 5mg. Offered by: Chemat.

brandChemat
catalog numberCh12EGAX-5mg
cas159934-13-1
size5mg
availability 0.005g
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Available pack sizes

brand size price
Chemat 5mg 3611.60 Pln

properties

purity≥95%
delivery time3 weeks
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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