5-[[5-[3,4-Dihydroxy-4-(Hydroxymethyl)Oxolan-2-Yl]Oxy-3,4-Dihydroxy-6-[5-Hydroxy-2-(4-Hydroxy-3-Methoxyphenyl)-7-Methoxy-4-Oxochromen-3-Yl]Oxyoxan-2-Yl]Methoxy]-3-Hydroxy-3-Methyl-5-Oxopentanoic Acid
[CAS# 131749-61-6]

Identification

• Name: 5-[[5-[3,4-Dihydroxy-4-(Hydroxymethyl)Oxolan-2-Yl]Oxy-3,4-Dihydroxy-6-[5-Hydroxy-2-(4-Hydroxy-3-Methoxyphenyl)-7-Methoxy-4-Oxochromen-3-Yl]Oxyoxan-2-Yl]Methoxy]-3-Hydroxy-3-Methyl-5-Oxopentanoic Acid
• Synonyms: 5-[[5-[3,4-Dihydroxy-4-(Hydroxymethyl)Tetrahydrofuran-2-Yl]Oxy-3,4-Dihydroxy-6-[5-Hydroxy-2-(4-Hydroxy-3-Methoxy-Phenyl)-7-Methoxy-4-Oxo-Chromen-3-Yl]Oxy-Tetrahydropyran-2-Yl]Methoxy]-3-Hydroxy-3-Methyl-5-Oxo-Pentanoic Acid; 5-[[5-[[3,4-Dihydroxy-4-(Hydroxymethyl)-2-Tetrahydrofuranyl]Oxy]-3,4-Dihydroxy-6-[[5-Hydroxy-2-(4-Hydroxy-3-Methoxyphenyl)-7-Methoxy-4-Oxo-3-Chromenyl]Oxy]-2-Tetrahydropyranyl]Methoxy]-3-Hydroxy-3-Methyl-5-Oxopentanoic Acid; 5-[[5-(3,4-Dihydroxy-4-Methylol-Tetrahydrofuran-2-Yl)Oxy-3,4-Dihydroxy-6-[5-Hydroxy-2-(4-Hydroxy-3-Methoxy-Phenyl)-4-Keto-7-Methoxy-Chromen-3-Yl]Oxy-Tetrahydropyran-2-Yl]Methoxy]-3-Hydroxy-5-Keto-3-Methyl-Valeric Acid
• Molecular Formula: C₃₄H₄₀O₂₀
• Molecular Weight: 768.68
• CAS Registry Number: 131749-61-6
• SMILES: C1=C(OC)C=C(O)C4=C1OC(=C(OC2OC(C(O)C(O)C2OC3OCC(O)(C3O)CO)COC(=O)CC(O)(CC(=O)O)C)C4=O)C5=CC=C(O)C(=C5)OC
• InChI: 1S/C34H40O20/c1-33(45,9-21(38)39)10-22(40)49-11-20-24(41)26(43)29(54-32-30(44)34(46,12-35)13-50-32)31(52-20)53-28-25(42)23-17(37)7-15(47-2)8-19(23)51-27(28)14-4-5-16(36)18(6-14)48-3/h4-8,20,24,26,29-32,35-37,41,43-46H,9-13H2,1-3H3,(H,38,39)
• InChIKey: TZQLZVPXUSLRLJ-UHFFFAOYSA-N

Properties

• Density: 1.674g/cm³ (Cal.)
• Boiling point: 1104.959°C at 760 mmHg (Cal.)
• Flash point: 344.845°C (Cal.)