5'-[7-(beta-D-Glucopyranosyloxy)-3,4-Dihydro-5-Hydroxy-6-Methyl-4-Oxo-2H-1-Benzopyran-2-Yl]-2,2'-Dihydroxy[1,1'-Biphenyl]-3-Carboxylic Acid, Intramol. 3,6'''-Ester
[CAS# 39262-31-2]

Identification

• Name: 5'-[7-(beta-D-Glucopyranosyloxy)-3,4-Dihydro-5-Hydroxy-6-Methyl-4-Oxo-2H-1-Benzopyran-2-Yl]-2,2'-Dihydroxy[1,1'-Biphenyl]-3-Carboxylic Acid, Intramol. 3,6'''-Ester
• Synonyms: Nsc251250
• Molecular Formula: C₂₉H₂₆O₁₂
• Molecular Weight: 566.52
• CAS Registry Number: 39262-31-2
• SMILES: CC4=C(C1=C5OC(CC1=O)C2=CC=C(O)C(=C2)C3=C(C(=CC=C3)C(=O)OCC6C(O)C(C(C(OC4=C5)O6)O)O)O)O
• InChI: 1S/C29H26O12/c1-11-18-9-20-22(23(11)32)17(31)8-19(39-20)12-5-6-16(30)15(7-12)13-3-2-4-14(24(13)33)28(37)38-10-21-25(34)26(35)27(36)29(40-18)41-21/h2-7,9,19,21,25-27,29-30,32-36H,8,10H2,1H3
• InChIKey: ZGRAFMJBVGBGRY-UHFFFAOYSA-N

Properties

• Density: 1.559g/cm³ (Cal.)
• Boiling point: 963.606°C at 760 mmHg (Cal.)
• Flash point: 322.527°C (Cal.)