4,5-Di-o-Caffeoylquinic acid methyl ester

cas: 188742-80-5 — see every product listed under this CAS number, including other names

4,5-Di-o-Caffeoylquinic acid methyl ester (CAS 188742-80-5) is a chemical reagent available from Chemat. Available pack sizes: 25mg, 10mg, 50mg. Offered by: Biosynth.

brandBiosynth
catalog numberNHA74280-25mg
cas188742-80-5
size25mg
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properties

categoryNatural Products
purityNo data
delivery time3-4 Weeks
Structural formula: {0} (CAS {1})

Methyl (1R,3R,4S,5R)-3,4-bis[[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy]-1,5-dihydroxycyclohexane-1-carboxylate (CAS 188742-80-5) is a chemical compound with the molecular formula C26H26O12 and a molecular weight of 530.5 g/mol. IUPAC name: methyl (1R,3R,4S,5R)-3,4-bis[[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy]-1,5-dihydroxycyclohexane-1-carboxylate. InChIKey: PKJBSZTYNDRXEQ-GMGOHGFSSA-N.

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

Computed by PubChem (NCBI)

Synonyms: 4,5-Di-O-caffeoylquinic acid methyl ester, 4,5-O-Dicaffeoyl quinic acid methyl ester, orb1683537, Methyl 4,5-di-O-caffeoylquinate, methyl-4,5-di-O-caffeoylquinate, 4,5-O-dicaffeoylquinic acid methyl ester
Related forms of this compound
methyl (1S,3R,4R,5R)-3,4-bis[[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy]-1,5-dihydroxycyclohexane-1-carboxylate C26H26O12
Isomers (same molecular formula)
trans-methyl (3R,5R)-3,5-bis[[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy]-1,4-dihydroxycyclohexane-1-carboxylate C26H26O12
(1S,3R,4R,5R)-4-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-1,3-dihydroxy-5-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxycyclohexane-1-carboxylic acid C26H26O12
(1S,3R,4R,5R)-3-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-1,4-dihydroxy-5-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxycyclohexane-1-carboxylic acid C26H26O12

Also listed as

4，5–Di–O–caffeoylquinic acid methyl ester GLPBio CAS 188742-80-5
4,5-O-Dicaffeoyl quinic acid methyl ester MedChemExpress CAS 188742-80-5
4,5-Di-O-caffeoylquinic acid methyl ester, ≥97%(HPLC) Chemat CAS 188742-80-5