[(2S,3R,4R,5S,6S)-2-[5,7-Dihydroxy-2-(4-Hydroxyphenyl)-4-Oxochromen-3-Yl]Oxy-5-Hydroxy-3-[(E)-3-(4-Hydroxyphenyl)Prop-2-Enoyl]Oxy-6-Methyloxan-4-Yl] (E)-3-(4-Hydroxyphenyl)Prop-2-Enoate
[CAS# 133740-25-7]

Identification

• Name: [(2S,3R,4R,5S,6S)-2-[5,7-Dihydroxy-2-(4-Hydroxyphenyl)-4-Oxochromen-3-Yl]Oxy-5-Hydroxy-3-[(E)-3-(4-Hydroxyphenyl)Prop-2-Enoyl]Oxy-6-Methyloxan-4-Yl] (E)-3-(4-Hydroxyphenyl)Prop-2-Enoate
• Synonyms: [(2S,3R,4R,5S,6S)-2-[5,7-Dihydroxy-2-(4-Hydroxyphenyl)-4-Oxo-Chromen-3-Yl]Oxy-5-Hydroxy-3-[(E)-3-(4-Hydroxyphenyl)Prop-2-Enoyl]Oxy-6-Methyl-Tetrahydropyran-4-Yl] (E)-3-(4-Hydroxyphenyl)Prop-2-Enoate; (E)-3-(4-Hydroxyphenyl)Prop-2-Enoic Acid [(2S,3R,4R,5S,6S)-2-[[5,7-Dihydroxy-2-(4-Hydroxyphenyl)-4-Oxo-3-Chromenyl]Oxy]-5-Hydroxy-3-[(E)-3-(4-Hydroxyphenyl)-1-Oxoprop-2-Enoxy]-6-Methyl-4-Tetrahydropyranyl] Ester; (E)-3-(4-Hydroxyphenyl)Acrylic Acid [(2S,3R,4R,5S,6S)-2-[5,7-Dihydroxy-2-(4-Hydroxyphenyl)-4-Keto-Chromen-3-Yl]Oxy-5-Hydroxy-3-[(E)-3-(4-Hydroxyphenyl)Acryloyl]Oxy-6-Methyl-Tetrahydropyran-4-Yl] Ester
• Molecular Formula: C₃₉H₃₂O₁₄
• Molecular Weight: 724.67
• CAS Registry Number: 133740-25-7
• SMILES: [C@@H]4([C@H](OC1=C(OC2=C(C1=O)C(=CC(=C2)O)O)C3=CC=C(O)C=C3)O[C@H]([C@H](O)[C@H]4OC(/C=C/C5=CC=C(O)C=C5)=O)C)OC(/C=C/C6=CC=C(O)C=C6)=O
• InChI: 1S/C39H32O14/c1-20-33(47)36(51-30(45)16-6-21-2-10-24(40)11-3-21)38(52-31(46)17-7-22-4-12-25(41)13-5-22)39(49-20)53-37-34(48)32-28(44)18-27(43)19-29(32)50-35(37)23-8-14-26(42)15-9-23/h2-20,33,36,38-44,47H,1H3/b16-6+,17-7+/t20-,33-,36+,38+,39-/m0/s1
• InChIKey: HKZIBACORRUGAC-FIFPDCARSA-N

Properties

• Density: 1.587g/cm³ (Cal.)
• Boiling point: 954.692°C at 760 mmHg (Cal.)
• Flash point: 298.107°C (Cal.)