$250.00
| CAS No.: | 1629852-63-6 |
| Molecular Formula | C₂₂H₂₈O₁₄ |
| Molecular Weight | 516.4g/mol |
| Purity | HPLC>98% |
| Chemical Family | Phenylpropanoids |
| Weight |
|---|
IUPAC Name: (1S,3R,4R,5R)-1,3,4-trihydroxy-5-[(E)-3-[3-hydroxy-4-[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]prop-2-enoyl]oxycyclohexane-1-carboxylic acid
InChI: InChI=1S/C22H28O14/c23-8-14-17(28)18(29)19(30)20(36-14)35-12-3-1-9(5-10(12)24)2-4-15(26)34-13-7-22(33,21(31)32)6-11(25)16(13)27/h1-5,11,13-14,16-20,23-25,27-30,33H,6-8H2,(H,31,32)/b4-2+/t11-,13-,14-,16-,17-,18+,19-,20?,22+/m1/s1
InChIKey: ABXYVNGLNANCOI-NSGBDHDDSA-N
Canonical SMILES: C1C(C(C(CC1(C(=O)O)O)OC(=O)C=CC2=CC(=C(C=C2)OC3C(C(C(C(O3)CO)O)O)O)O)O)O
Isomeric SMILES: C1[C@H]([C@H]([C@@H](C[C@@]1(C(=O)O)O)OC(=O)/C=C/C2=CC(=C(C=C2)OC3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O)O
Synonyms: 5-O-(3′-O-Glucosylcaffeoyl)quinic acid; 1629852-63-6; (1S,3R,4R,5R)-1,3,4-Trihydroxy-5-(((E)-3-(3-hydroxy-4-(((3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)phenyl)acryloyl)oxy)cyclohexanecarboxylic acid; HY-N8133; AKOS040756948; CS-0140180
Botanical Source:
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