7-[6-[[3,4-Dihydroxy-4-(Hydroxymethyl)Oxolan-2-Yl]Oxymethyl]-3,4,5-Trihydroxyoxan-2-Yl]Oxy-6-(2,3-Dihydroxy-3-Methylbutyl)Chromen-2-One
[CAS# 155740-16-2]

Identification

• Name: 7-[6-[[3,4-Dihydroxy-4-(Hydroxymethyl)Oxolan-2-Yl]Oxymethyl]-3,4,5-Trihydroxyoxan-2-Yl]Oxy-6-(2,3-Dihydroxy-3-Methylbutyl)Chromen-2-One
• Synonyms: 7-[6-[[3,4-Dihydroxy-4-(Hydroxymethyl)Tetrahydrofuran-2-Yl]Oxymethyl]-3,4,5-Trihydroxy-Tetrahydropyran-2-Yl]Oxy-6-(2,3-Dihydroxy-3-Methyl-Butyl)Chromen-2-One; 7-[[6-[[3,4-Dihydroxy-4-(Hydroxymethyl)-2-Tetrahydrofuranyl]Oxymethyl]-3,4,5-Trihydroxy-2-Tetrahydropyranyl]Oxy]-6-(2,3-Dihydroxy-3-Methylbutyl)-2-Chromenone; 6-(2,3-Dihydroxy-3-Methyl-Butyl)-7-[6-[(3,4-Dihydroxy-4-Methylol-Tetrahydrofuran-2-Yl)Oxymethyl]-3,4,5-Trihydroxy-Tetrahydropyran-2-Yl]Oxy-Coumarin
• Molecular Formula: C₂₅H₃₄O₁₄
• Molecular Weight: 558.54
• CAS Registry Number: 155740-16-2
• SMILES: C3=C(OC1C(C(C(O)C(O1)COC2C(C(O)(CO)CO2)O)O)O)C(=CC4=C3OC(C=C4)=O)CC(C(O)(C)C)O
• InChI: 1S/C25H34O14/c1-24(2,33)16(27)6-12-5-11-3-4-17(28)37-13(11)7-14(12)38-22-20(31)19(30)18(29)15(39-22)8-35-23-21(32)25(34,9-26)10-36-23/h3-5,7,15-16,18-23,26-27,29-34H,6,8-10H2,1-2H3
• InChIKey: DVLIAXKBIVLBKD-UHFFFAOYSA-N

Properties

• Density: 1.611g/cm³ (Cal.)
• Boiling point: 902.046°C at 760 mmHg (Cal.)
• Flash point: 301.39°C (Cal.)