$160.00
| CAS No.: | 1419478-52-6 |
| Molecular Formula | C₄₂H₃₄O₂₀ |
| Molecular Weight | 858.7g/mol |
| Purity | HPLC>98% |
| Chemical Family | Phenylpropanoids |
| Weight |
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IUPAC Name: (2R,3S,4S,5S)-2,3,4,5-tetrakis[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]-2,3,4,5-tetrahydroxyhexanedioic acid
InChI: InChI=1S/C42H34O20/c43-25-9-1-21(17-29(25)47)5-13-33(51)39(59,37(55)56)41(61,35(53)15-7-23-3-11-27(45)31(49)19-23)42(62,36(54)16-8-24-4-12-28(46)32(50)20-24)40(60,38(57)58)34(52)14-6-22-2-10-26(44)30(48)18-22/h1-20,43-50,59-62H,(H,55,56)(H,57,58)/b13-5+,14-6+,15-7+,16-8+/t39-,40+,41-,42-/m1/s1
InChIKey: WINRWNWFZZGKBN-KFLUQYNTSA-N
Canonical SMILES: C1=CC(=C(C=C1C=CC(=O)C(C(=O)O)(C(C(=O)C=CC2=CC(=C(C=C2)O)O)(C(C(=O)C=CC3=CC(=C(C=C3)O)O)(C(C(=O)C=CC4=CC(=C(C=C4)O)O)(C(=O)O)O)O)O)O)O)O
Isomeric SMILES: C1=CC(=C(C=C1/C=C/C(=O)[C@](O)([C@@](O)([C@](O)([C@@](O)(C(=O)O)C(=O)/C=C/C2=CC(=C(C=C2)O)O)C(=O)/C=C/C3=CC(=C(C=C3)O)O)C(=O)/C=C/C4=CC(=C(C=C4)O)O)C(=O)O)O)O
Synonyms: 1419478-52-6; 2,3,4,5-tetracaffeoylglucaric acid; (2R,3S,4S,5S)-2,3,4,5-Tetrakis[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]-2,3,4,5-tetrahydroxyhexanedioic acid
Botanical Source:
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