3-(4-Hydroxyphenyl)-6-Methoxy-4-Oxo-4H-Chromen-8-Yl 6-O-(Carboxyacetyl)-beta-D-Glucopyranoside
[CAS# 137705-39-6]

Identification

• Name: 3-(4-Hydroxyphenyl)-6-Methoxy-4-Oxo-4H-Chromen-8-Yl 6-O-(Carboxyacetyl)-beta-D-Glucopyranoside
• Synonyms: 6''-O-MALONYLGLYCITIN
• Molecular Formula: C₂₅H₂₄O₁₃
• Molecular Weight: 532.45
• CAS Registry Number: 137705-39-6
• SMILES: COc1cc2c(=O)c(coc2c(c1)OC3C(C(C(C(O3)COC(=O)CC(=O)O)O)O)O)c4ccc(cc4)O
• InChI: 1S/C25H24O13/c1-34-13-6-14-20(30)15(11-2-4-12(26)5-3-11)9-36-24(14)16(7-13)37-25-23(33)22(32)21(31)17(38-25)10-35-19(29)8-18(27)28/h2-7,9,17,21-23,25-26,31-33H,8,10H2,1H3,(H,27,28)/t17-,21-,22+,23-,25-/m1/s1
• InChIKey: OYDNPVAEDDPNLO-XIRKIXBGSA-N

Properties

• Density: 1.571g/cm³ (Cal.)
• Boiling point: 863.205°C at 760 mmHg (Cal.)
• Flash point: 293.353°C (Cal.)
• Refractive index: 1.653 (Cal.)