Products 114637-83-1
CAS 114637-83-1 appears in our catalog under these names: 3,4–Di–O–caffeoylquinic acid methyl ester, 3,4-Di-o-caffeoylquinic acid methyl ester, 3,4-Di-O-caffeoyl quinic acid methyl ester, 98.77%. Offered by: GLPBio, Biosynth, MedChemExpress. Available pack sizes: 5mg, 25mg, 10mg, 50mg, 5 mg, 10 mg.
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.
| Molecular formula | C26H26O12 |
|---|---|
| Molecular weight | 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 |
| SMILES | COC(=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