3,4–Di–O–caffeoylquinic acid methyl ester

cas: 114637-83-1 — see every product listed under this CAS number, including other names

3,4–Di–O–caffeoylquinic acid methyl ester (CAS 114637-83-1) is a chemical reagent available from Chemat. Available pack sizes: 5mg. Offered by: GLPBio.

brandGLPBio
catalog numberGC26616-5
cas114637-83-1
size5mg
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Available pack sizes

brand size price
GLPBio 5mg 4205.71 Pln

properties

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

Methyl (1S,3R,4R,5R)-3,4-bis[[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy]-1,5-dihydroxycyclohexane-1-carboxylate (CAS 114637-83-1) is a chemical compound with the molecular formula C26H26O12 and a molecular weight of 530.5 g/mol. IUPAC name: methyl (1S,3R,4R,5R)-3,4-bis[[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy]-1,5-dihydroxycyclohexane-1-carboxylate. InChIKey: PKJBSZTYNDRXEQ-VOHNXBSUSA-N.

Identity
Molecular formulaC26H26O12
Molecular weight530.5 g/mol
IUPAC namemethyl (1S,3R,4R,5R)-3,4-bis[[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy]-1,5-dihydroxycyclohexane-1-carboxylate
InChIKeyPKJBSZTYNDRXEQ-VOHNXBSUSA-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: Methyl 3,4-Di-O-Caffeoyl Quinate, 3,4-Di-O-caffeoylquinic acid methyl ester, Macranthoin F, 3,4-Di-O-caffeoyl quinic acid methyl ester, Macroantoin F, orb1683665, methyl 3,4-di-O-caffeoylquinate, methyl-3,4-di-O-caffeoylquinate, methyl-3,4-di-O-caffeoylquinic acid, 3,4-dicaffeoylquinic acid methyl ester
Related forms of this compound
methyl (1R,3R,4S,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

3,4-Di-o-caffeoylquinic acid methyl ester Biosynth CAS 114637-83-1
3,4-Di-O-caffeoyl quinic acid methyl ester, 98.77% MedChemExpress CAS 114637-83-1