$96.00
| CAS No.: | 1241-87-8 |
| Molecular Formula | C₁₆H₁₈O₉ |
| Molecular Weight | 354.31g/mol |
| Purity | HPLC>98% |
| Chemical Family | Phenylpropanoids |
| Weight |
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IUPAC Name: (3R,5R)-1-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-3,4,5-trihydroxycyclohexane-1-carboxylic acid
InChI: InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(21)25-16(15(23)24)6-11(19)14(22)12(20)7-16/h1-5,11-12,14,17-20,22H,6-7H2,(H,23,24)/b4-2+/t11-,12-,14?,16?/m1/s1
InChIKey: GWTUHAXUUFROTF-AVXJPILUSA-N
Canonical SMILES: C1C(C(C(CC1(C(=O)O)OC(=O)C=CC2=CC(=C(C=C2)O)O)O)O)O
Isomeric SMILES: C1[C@H](C([C@@H](CC1(C(=O)O)OC(=O)/C=C/C2=CC(=C(C=C2)O)O)O)O)O
Synonyms: 1-Caffeoylquinic acid; 1241-87-8; 1-O-caffeoylquinic acid; trans-1-o-Caffeoylquinic acid; 928005-87-2; 1-Cqa; 8WO78APH4R; NPLC-0528; …
Botanical Source: Inulae flos
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