$120.00
| CAS No.: | 19870-46-3 |
| Molecular Formula | C₂₅H₂₄O₁₂ |
| Molecular Weight | 516.4g/mol |
| Purity | HPLC>98% |
| Chemical Family | Phenylpropanoids |
| Weight |
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IUPAC Name: (1S,3R,4R,5R)-1,3-bis[[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy]-4,5-dihydroxycyclohexane-1-carboxylic acid
InChI: InChI=1S/C25H24O12/c26-15-5-1-13(9-17(15)28)3-7-21(31)36-20-12-25(24(34)35,11-19(30)23(20)33)37-22(32)8-4-14-2-6-16(27)18(29)10-14/h1-10,19-20,23,26-30,33H,11-12H2,(H,34,35)/b7-3+,8-4+/t19-,20-,23-,25+/m1/s1
InChIKey: YDDUMTOHNYZQPO-PSEXTPKNSA-N
Canonical SMILES: C1C(C(C(CC1(C(=O)O)OC(=O)C=CC2=CC(=C(C=C2)O)O)OC(=O)C=CC3=CC(=C(C=C3)O)O)O)O
Isomeric SMILES: C1[C@H]([C@H]([C@@H](C[C@@]1(C(=O)O)OC(=O)/C=C/C2=CC(=C(C=C2)O)O)OC(=O)/C=C/C3=CC(=C(C=C3)O)O)O)O
Synonyms: 19870-46-3; 1,3-O-Dicaffeoylquinic acid; 1,3-Dicaffeoylquinic acid; 1,5-Dicaffeoylquinic acid; Cynarin; Dicaffeoylquininic acid; 1,5-Dicaffeoylquinic-acid; Listrocol; …
Botanical Source: Inulae flos
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