[(2R,3S,4R,5R)-4-Hydroxy-2,5-Bis[[(E)-3-(4-Hydroxyphenyl)Prop-2-Enoyl]Oxymethyl]-2-[(2R,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-[[(E)-3-(4-Hydroxy-3-Methoxyphenyl)Prop-2-Enoyl]Oxymethyl]Oxan-2-Yl]Oxyoxolan-3-Yl] (E)-3-(4-Hydroxyphenyl)Prop-2-Enoate
[CAS# 155179-21-8]

Identification

• Name: [(2R,3S,4R,5R)-4-Hydroxy-2,5-Bis[[(E)-3-(4-Hydroxyphenyl)Prop-2-Enoyl]Oxymethyl]-2-[(2R,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-[[(E)-3-(4-Hydroxy-3-Methoxyphenyl)Prop-2-Enoyl]Oxymethyl]Oxan-2-Yl]Oxyoxolan-3-Yl] (E)-3-(4-Hydroxyphenyl)Prop-2-Enoate
• Synonyms: [(2R,3S,4R,5R)-4-Hydroxy-2,5-Bis[[(E)-3-(4-Hydroxyphenyl)Prop-2-Enoyl]Oxymethyl]-2-[(2R,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-[[(E)-3-(4-Hydroxy-3-Methoxy-Phenyl)Prop-2-Enoyl]Oxymethyl]Tetrahydropyran-2-Yl]Oxy-Tetrahydrofuran-3-Yl] (E)-3-(4-Hydroxyphenyl)Prop-2-Enoate; (E)-3-(4-Hydroxyphenyl)Prop-2-Enoic Acid [(2R,3S,4R,5R)-4-Hydroxy-2,5-Bis[[(E)-3-(4-Hydroxyphenyl)-1-Oxoprop-2-Enoxy]Methyl]-2-[[(2R,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-[[(E)-3-(4-Hydroxy-3-Methoxyphenyl)-1-Oxoprop-2-Enoxy]Methyl]-2-Tetrahydropyranyl]Oxy]-3-Tetrahydrofuranyl] Ester; (E)-3-(4-Hydroxyphenyl)Acrylic Acid [(2R,3S,4R,5R)-4-Hydroxy-2,5-Bis[[(E)-3-(4-Hydroxyphenyl)Acryloyl]Oxymethyl]-2-[(2R,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-[[(E)-3-(4-Hydroxy-3-Methoxy-Phenyl)Acryloyl]Oxymethyl]Tetrahydropyran-2-Yl]Oxy-Tetrahydrofuran-3-Yl] Ester
• Molecular Formula: C₄₉H₄₈O₂₀
• Molecular Weight: 956.91
• CAS Registry Number: 155179-21-8
• SMILES: [C@]1(O[C@@H]([C@@H](O)[C@@H]1OC(=O)\C=C\C2=CC=C(O)C=C2)COC(=O)\C=C\C3=CC=C(O)C=C3)(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)OC)COC(=O)\C=C\C6=CC=C(O)C=C6
• InChI: 1S/C49H48O20/c1-62-36-24-31(8-19-35(36)53)12-22-40(55)63-25-37-43(58)45(60)46(61)48(66-37)69-49(27-65-41(56)21-10-29-4-15-33(51)16-5-29)47(67-42(57)23-11-30-6-17-34(52)18-7-30)44(59)38(68-49)26-64-39(54)20-9-28-2-13-32(50)14-3-28/h2-24,37-38,43-48,50-53,58-61H,25-27H2,1H3/b20-9+,21-10+,22-12+,23-11+/t37-,38-,43-,44-,45+,46-,47+,48-,49-/m1/s1
• InChIKey: ALSDWGAQQGXOHC-LMXPHSKJSA-N

Properties

• Density: 1.541g/cm³ (Cal.)
• Boiling point: 1165.047°C at 760 mmHg (Cal.)
• Flash point: 339.63°C (Cal.)