$96.00
| CAS No.: | 123483-19-2 |
| Molecular Formula | C₁₇H₂₀O₉ |
| Molecular Weight | 368.3g/mol |
| Purity | HPLC>98% |
| Chemical Family | Phenylpropanoids |
| Weight |
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IUPAC Name: methyl (1S,3R,4R,5R)-3-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-1,4,5-trihydroxycyclohexane-1-carboxylate
InChI: InChI=1S/C17H20O9/c1-25-16(23)17(24)7-12(20)15(22)13(8-17)26-14(21)5-3-9-2-4-10(18)11(19)6-9/h2-6,12-13,15,18-20,22,24H,7-8H2,1H3/b5-3+/t12-,13-,15-,17+/m1/s1
InChIKey: MZNIJRAPCCELQX-AWOKGZDASA-N
Canonical SMILES: COC(=O)C1(CC(C(C(C1)OC(=O)C=CC2=CC(=C(C=C2)O)O)O)O)O
Isomeric SMILES: COC(=O)[C@@]1(C[C@H]([C@H]([C@@H](C1)OC(=O)/C=C/C2=CC(=C(C=C2)O)O)O)O)O
Synonyms: Methyl chlorogenate; 3-O-Caffeoylquinic acid methyl ester; 123483-19-2; Chlorogenic acid methyl ester; Methyl 5-o-caffeoylquinate; Chlorogenic acid, methyl ester; UNII-E6GC3KV7JK; E6GC3KV7JK; …
Botanical Source: Lonicera japonica Thunb.
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