3-[(2R,3S,4R,5R,6S)-4,5-Dihydroxy-6-[7-Hydroxy-2-(4-Hydroxyphenyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-[[(E)-3-(4-Hydroxyphenyl)Prop-2-Enoyl]Oxymethyl]Oxan-2-Yl]Oxychromenylium-5-Yl]Oxy-2-[(3-Hydroxy-3-Oxopropanoyl)Oxymethyl]Oxan-3-Yl]Oxy-3-Oxopropanoic Acid
[CAS 73545-87-6]

Identification

• Name: 3-[(2R,3S,4R,5R,6S)-4,5-Dihydroxy-6-[7-Hydroxy-2-(4-Hydroxyphenyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-[[(E)-3-(4-Hydroxyphenyl)Prop-2-Enoyl]Oxymethyl]Oxan-2-Yl]Oxychromenylium-5-Yl]Oxy-2-[(3-Hydroxy-3-Oxopropanoyl)Oxymethyl]Oxan-3-Yl]Oxy-3-Oxopropanoic Acid
• Synonyms: 3-[(2R,3S,4R,5R,6S)-4,5-Dihydroxy-6-[7-Hydroxy-2-(4-Hydroxyphenyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-[[(E)-3-(4-Hydroxyphenyl)Prop-2-Enoyl]Oxymethyl]Tetrahydropyran-2-Yl]Oxy-Chromenylium-5-Yl]Oxy-2-[(3-Hydroxy-3-Oxo-Propanoyl)Oxymethyl]Tetrahydropyran-3-Yl]Oxy-3-Oxo-Propanoic Acid; 3-[[(2R,3S,4R,5R,6S)-4,5-Dihydroxy-2-[(3-Hydroxy-1,3-Dioxopropoxy)Methyl]-6-[[7-Hydroxy-2-(4-Hydroxyphenyl)-3-[[(2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-[[(E)-3-(4-Hydroxyphenyl)-1-Oxoprop-2-Enoxy]Methyl]-2-Tetrahydropyranyl]Oxy]-5-Chromenyliumyl]Oxy]-3-Tetrahydropyranyl]Oxy]-3-Oxopropanoic Acid; 3-[(2R,3S,4R,5R,6S)-4,5-Dihydroxy-6-[[7-Hydroxy-2-(4-Hydroxyphenyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-[[(E)-3-(4-Hydroxyphenyl)Acryloyl]Oxymethyl]Tetrahydropyran-2-Yl]Oxy-1-Benzopyrylium-5-Yl]Oxy]-2-[(3-Hydroxy-3-Keto-Propanoyl)Oxymethyl]Tetrahydropyran-3-Yl]Oxy-3-Keto-Propionic Acid
• Molecular Formula: C₄₂H₄₁O₂₃
• Molecular Weight: 913.77
• CAS Registry Number: 73545-87-6
• SMILES: [O+]1=C(C(=CC2=C1C=C(O)C=C2O[C@@H]3O[C@@H]([C@@H](OC(=O)CC(=O)O)[C@H](O)[C@H]3O)COC(=O)CC(=O)O)O[C@@H]4O[C@@H]([C@@H](O)[C@H](O)[C@H]4O)COC(=O)\C=C\C5=CC=C(O)C=C5)C6=CC=C(O)C=C6
• InChI: 1S/C42H40O23/c43-20-6-1-18(2-7-20)3-10-31(50)58-16-27-34(53)35(54)37(56)41(63-27)62-26-13-23-24(60-39(26)19-4-8-21(44)9-5-19)11-22(45)12-25(23)61-42-38(57)36(55)40(65-33(52)15-30(48)49)28(64-42)17-59-32(51)14-29(46)47/h1-13,27-28,34-38,40-42,53-57H,14-17H2,(H4-,43,44,45,46,47,48,49,50)/p+1/t27-,28-,34-,35+,36-,37-,38-,40-,41-,42-/m1/s1
• InChIKey: HOQNHEQPPFYHLF-QBMVVDGVSA-O