4-[(2R)-5,7-Dihydroxy-2-[(2R)-2-(4-Hydroxy-3-Methoxyphenyl)-3-[(4-Hydroxy-4-Oxobutanoyl)Oxymethyl]-2,3-Dihydro-1,4-Benzodioxin-7-Yl]-4-Oxochroman-3-Yl]Oxy-4-Oxobutanoic Acid
[CAS# 34482-56-9]

Identification

• Name: 4-[(2R)-5,7-Dihydroxy-2-[(2R)-2-(4-Hydroxy-3-Methoxyphenyl)-3-[(4-Hydroxy-4-Oxobutanoyl)Oxymethyl]-2,3-Dihydro-1,4-Benzodioxin-7-Yl]-4-Oxochroman-3-Yl]Oxy-4-Oxobutanoic Acid
• Synonyms: 4-[(2R)-5,7-Dihydroxy-2-[(2R)-2-(4-Hydroxy-3-Methoxy-Phenyl)-3-[(4-Hydroxy-4-Oxo-Butanoyl)Oxymethyl]-2,3-Dihydro-1,4-Benzodioxin-7-Yl]-4-Oxo-Chroman-3-Yl]Oxy-4-Oxo-Butanoic Acid; 4-[[(2R)-5,7-Dihydroxy-2-[(2R)-3-[(4-Hydroxy-1,4-Dioxobutoxy)Methyl]-2-(4-Hydroxy-3-Methoxyphenyl)-2,3-Dihydro-1,4-Benzodioxin-7-Yl]-4-Oxo-3-Chromanyl]Oxy]-4-Oxobutanoic Acid; 4-[(2R)-5,7-Dihydroxy-2-[(2R)-3-[(4-Hydroxy-4-Keto-Butanoyl)Oxymethyl]-2-(4-Hydroxy-3-Methoxy-Phenyl)-2,3-Dihydro-1,4-Benzodioxin-7-Yl]-4-Keto-Chroman-3-Yl]Oxy-4-Keto-Butyric Acid
• Molecular Formula: C₃₃H₃₀O₁₆
• Molecular Weight: 682.59
• CAS Registry Number: 34482-56-9
• SMILES: [C@@H]2(OC1=CC(=CC(=C1C(=O)C2OC(=O)CCC(=O)O)O)O)C4=CC=C3OC([C@H](OC3=C4)C5=CC=C(O)C(=C5)OC)COC(=O)CCC(=O)O
• InChI: 1S/C33H30O16/c1-44-21-10-15(2-4-18(21)35)31-24(14-45-27(41)8-6-25(37)38)46-20-5-3-16(11-22(20)47-31)32-33(49-28(42)9-7-26(39)40)30(43)29-19(36)12-17(34)13-23(29)48-32/h2-5,10-13,24,31-36H,6-9,14H2,1H3,(H,37,38)(H,39,40)/t24?,31-,32-,33?/m1/s1
• InChIKey: JXTPWYSSFFOISU-KRNSKHGTSA-N

Properties

• Density: 1.624g/cm³ (Cal.)
• Boiling point: 961.158°C at 760 mmHg (Cal.)
• Flash point: 307.744°C (Cal.)