Methyl 5-Ethenyl-4-[[6-[4-(4-Hydroxyphenyl)-2-Oxobutyl]-4-Oxooxan-2-Yl]Methyl]-6-[3,4,5-Trihydroxy-6-(Hydroxymethyl)Oxan-2-Yl]Oxy-5,6-Dihydro-4H-Pyran-3-Carboxylate
[CAS# 74474-42-3]

Identification

• Name: Methyl 5-Ethenyl-4-[[6-[4-(4-Hydroxyphenyl)-2-Oxobutyl]-4-Oxooxan-2-Yl]Methyl]-6-[3,4,5-Trihydroxy-6-(Hydroxymethyl)Oxan-2-Yl]Oxy-5,6-Dihydro-4H-Pyran-3-Carboxylate
• Synonyms: Methyl 4-[[6-[4-(4-Hydroxyphenyl)-2-Oxo-Butyl]-4-Oxo-Tetrahydropyran-2-Yl]Methyl]-6-[3,4,5-Trihydroxy-6-(Hydroxymethyl)Tetrahydropyran-2-Yl]Oxy-5-Vinyl-5,6-Dihydro-4H-Pyran-3-Carboxylate; 4-[[6-[4-(4-Hydroxyphenyl)-2-Oxobutyl]-4-Oxo-2-Tetrahydropyranyl]Methyl]-6-[[3,4,5-Trihydroxy-6-(Hydroxymethyl)-2-Tetrahydropyranyl]Oxy]-5-Vinyl-5,6-Dihydro-4H-Pyran-3-Carboxylic Acid Methyl Ester; 4-[[6-[4-(4-Hydroxyphenyl)-2-Keto-Butyl]-4-Keto-Tetrahydropyran-2-Yl]Methyl]-6-(3,4,5-Trihydroxy-6-Methylol-Tetrahydropyran-2-Yl)Oxy-5-Vinyl-5,6-Dihydro-4H-Pyran-3-Carboxylic Acid Methyl Ester
• Molecular Formula: C₃₁H₄₀O₁₃
• Molecular Weight: 620.65
• CAS Registry Number: 74474-42-3
• SMILES: C1=CC(=CC=C1O)CCC(CC4OC(CC3C(=COC(OC2C(C(O)C(C(O2)CO)O)O)C3C=C)C(=O)OC)CC(C4)=O)=O
• InChI: 1S/C31H40O13/c1-3-22-23(13-21-12-19(35)11-20(42-21)10-18(34)9-6-16-4-7-17(33)8-5-16)24(29(39)40-2)15-41-30(22)44-31-28(38)27(37)26(36)25(14-32)43-31/h3-5,7-8,15,20-23,25-28,30-33,36-38H,1,6,9-14H2,2H3
• InChIKey: BAKYVUHOODEWGV-UHFFFAOYSA-N

Properties

• Density: 1.406g/cm³ (Cal.)
• Boiling point: 818.734°C at 760 mmHg (Cal.)
• Flash point: 260.79°C (Cal.)