[(2S,3R,4S,5S,6R)-4,5-Dihydroxy-6-(Hydroxymethyl)-2-[3-[4-Methoxy-3-(3-Methylbut-2-Enyl)Phenyl]-4-Oxochromen-7-Yl]Oxyoxan-3-Yl] (E)-3-(4-Hydroxyphenyl)Prop-2-Enoate
[CAS# 126654-66-8]

Identification

• Name: [(2S,3R,4S,5S,6R)-4,5-Dihydroxy-6-(Hydroxymethyl)-2-[3-[4-Methoxy-3-(3-Methylbut-2-Enyl)Phenyl]-4-Oxochromen-7-Yl]Oxyoxan-3-Yl] (E)-3-(4-Hydroxyphenyl)Prop-2-Enoate
• Synonyms: [(2S,3R,4S,5S,6R)-4,5-Dihydroxy-6-(Hydroxymethyl)-2-[3-[4-Methoxy-3-(3-Methylbut-2-Enyl)Phenyl]-4-Oxo-Chromen-7-Yl]Oxy-Tetrahydropyran-3-Yl] (E)-3-(4-Hydroxyphenyl)Prop-2-Enoate; (E)-3-(4-Hydroxyphenyl)Prop-2-Enoic Acid [(2S,3R,4S,5S,6R)-4,5-Dihydroxy-6-(Hydroxymethyl)-2-[[3-[4-Methoxy-3-(3-Methylbut-2-Enyl)Phenyl]-4-Oxo-7-Chromenyl]Oxy]-3-Tetrahydropyranyl] Ester; (E)-3-(4-Hydroxyphenyl)Acrylic Acid [(2S,3R,4S,5S,6R)-4,5-Dihydroxy-2-[4-Keto-3-[4-Methoxy-3-(3-Methylbut-2-Enyl)Phenyl]Chromen-7-Yl]Oxy-6-Methylol-Tetrahydropyran-3-Yl] Ester
• Molecular Formula: C₃₆H₃₆O₁₁
• Molecular Weight: 644.67
• CAS Registry Number: 126654-66-8
• SMILES: [C@@H]4(OC1=CC=C2C(=C1)OC=C(C2=O)C3=CC=C(OC)C(=C3)CC=C(C)C)O[C@@H]([C@@H](O)[C@H](O)[C@H]4OC(=O)\C=C\C5=CC=C(O)C=C5)CO
• InChI: 1S/C36H36O11/c1-20(2)4-8-23-16-22(9-14-28(23)43-3)27-19-44-29-17-25(12-13-26(29)32(27)40)45-36-35(34(42)33(41)30(18-37)46-36)47-31(39)15-7-21-5-10-24(38)11-6-21/h4-7,9-17,19,30,33-38,41-42H,8,18H2,1-3H3/b15-7+/t30-,33-,34+,35-,36-/m1/s1
• InChIKey: ZJTGUFCATXASHE-XLTJWZCXSA-N

Properties

• Density: 1.413g/cm³ (Cal.)
• Boiling point: 851.582°C at 760 mmHg (Cal.)
• Flash point: 268.474°C (Cal.)