$96.00
| CAS No.: | 123372-74-7 |
| Molecular Formula | C₁₇H₂₀O₉ |
| Molecular Weight | 368.3g/mol |
| Purity | HPLC>98% |
| Chemical Family | Phenylpropanoids |
| Weight |
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IUPAC Name: methyl (3R,5R)-4-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-1,3,5-trihydroxycyclohexane-1-carboxylate
InChI: InChI=1S/C17H20O9/c1-25-16(23)17(24)7-12(20)15(13(21)8-17)26-14(22)5-3-9-2-4-10(18)11(19)6-9/h2-6,12-13,15,18-21,24H,7-8H2,1H3/b5-3+/t12-,13-,15?,17?/m1/s1
InChIKey: SMFKCIHIAHWGGL-JUEQGWKHSA-N
Canonical SMILES: COC(=O)C1(CC(C(C(C1)O)OC(=O)C=CC2=CC(=C(C=C2)O)O)O)O
Isomeric SMILES: COC(=O)C1(C[C@H](C([C@@H](C1)O)OC(=O)/C=C/C2=CC(=C(C=C2)O)O)O)O
Synonyms: Methyl 4-caffeoylquinate; 123372-74-7; Methyl 4-O-caffeoylquinate; methyl (3R,5R)-4-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-1,3,5-trihydroxycyclohexane-1-carboxylate; 4-O-Caffeoylquinic acid methyl ester; CHEMBL2349426; CHEBI:145092; DTXSID001290347; …
Botanical Source:
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