[(2R,3S,4R,5R)-2-[(2R,3R,4S,5S,6R)-3-Acetyloxy-4,5-Dihydroxy-6-[[(E)-3-(4-Hydroxy-3-Methoxyphenyl)Prop-2-Enoyl]Oxymethyl]Oxan-2-Yl]Oxy-4-Hydroxy-2,5-Bis[[(E)-3-(4-Hydroxyphenyl)Prop-2-Enoyl]Oxymethyl]Oxolan-3-Yl] (E)-3-(4-Hydroxyphenyl)Prop-2-Enoate
[CAS# 155179-22-9]

Identification

• Name: [(2R,3S,4R,5R)-2-[(2R,3R,4S,5S,6R)-3-Acetyloxy-4,5-Dihydroxy-6-[[(E)-3-(4-Hydroxy-3-Methoxyphenyl)Prop-2-Enoyl]Oxymethyl]Oxan-2-Yl]Oxy-4-Hydroxy-2,5-Bis[[(E)-3-(4-Hydroxyphenyl)Prop-2-Enoyl]Oxymethyl]Oxolan-3-Yl] (E)-3-(4-Hydroxyphenyl)Prop-2-Enoate
• Synonyms: [(2R,3S,4R,5R)-2-[(2R,3R,4S,5S,6R)-3-Acetoxy-4,5-Dihydroxy-6-[[(E)-3-(4-Hydroxy-3-Methoxy-Phenyl)Prop-2-Enoyl]Oxymethyl]Tetrahydropyran-2-Yl]Oxy-4-Hydroxy-2,5-Bis[[(E)-3-(4-Hydroxyphenyl)Prop-2-Enoyl]Oxymethyl]Tetrahydrofuran-3-Yl] (E)-3-(4-Hydroxyphenyl)Prop-2-Enoate; (E)-3-(4-Hydroxyphenyl)Prop-2-Enoic Acid [(2R,3S,4R,5R)-2-[[(2R,3R,4S,5S,6R)-3-Acetoxy-4,5-Dihydroxy-6-[[(E)-3-(4-Hydroxy-3-Methoxyphenyl)-1-Oxoprop-2-Enoxy]Methyl]-2-Tetrahydropyranyl]Oxy]-4-Hydroxy-2,5-Bis[[(E)-3-(4-Hydroxyphenyl)-1-Oxoprop-2-Enoxy]Methyl]-3-Tetrahydrofuranyl] Ester; (E)-3-(4-Hydroxyphenyl)Acrylic Acid [(2R,3S,4R,5R)-2-[(2R,3R,4S,5S,6R)-3-Acetoxy-4,5-Dihydroxy-6-[[(E)-3-(4-Hydroxy-3-Methoxy-Phenyl)Acryloyl]Oxymethyl]Tetrahydropyran-2-Yl]Oxy-4-Hydroxy-2,5-Bis[[(E)-3-(4-Hydroxyphenyl)Acryloyl]Oxymethyl]Tetrahydrofuran-3-Yl] Ester
• Molecular Formula: C₅₁H₅₀O₂₁
• Molecular Weight: 998.94
• CAS Registry Number: 155179-22-9
• 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]4OC(=O)C)COC(=O)\C=C\C5=CC=C(O)C(=C5)OC)COC(=O)\C=C\C6=CC=C(O)C=C6
• InChI: 1S/C51H50O21/c1-29(52)68-48-47(63)45(61)39(26-65-42(58)23-13-33-9-20-37(56)38(25-33)64-2)69-50(48)72-51(28-67-43(59)22-11-31-5-16-35(54)17-6-31)49(70-44(60)24-12-32-7-18-36(55)19-8-32)46(62)40(71-51)27-66-41(57)21-10-30-3-14-34(53)15-4-30/h3-25,39-40,45-50,53-56,61-63H,26-28H2,1-2H3/b21-10+,22-11+,23-13+,24-12+/t39-,40-,45-,46-,47+,48-,49+,50-,51-/m1/s1
• InChIKey: RNXDQKHOEWIRNH-FBMBONOOSA-N

Properties

• Density: 1.518g/cm³ (Cal.)
• Boiling point: 1155.821°C at 760 mmHg (Cal.)
• Flash point: 332.63°C (Cal.)