3-Hydroxy-4-[(2E)-3-(4-hydroxyphenyl)-2-propenoyl]phenyl beta-D-glucopyranoside
[CAS# 59122-93-9]

Identification

• Name: 3-Hydroxy-4-[(2E)-3-(4-hydroxyphenyl)-2-propenoyl]phenyl beta-D-glucopyranoside
• Synonyms: Neoisoliquiritin
• Molecular Formula: C₂₁H₂₂O₉
• Molecular Weight: 418.39
• CAS Registry Number: 59122-93-9
• SMILES: c1cc(ccc1/C=C/C(=O)c2ccc(cc2O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O
• InChI: 1S/C21H22O9/c22-10-17-18(26)19(27)20(28)21(30-17)29-13-6-7-14(16(25)9-13)15(24)8-3-11-1-4-12(23)5-2-11/h1-9,17-23,25-28H,10H2/b8-3+/t17-,18-,19+,20-,21-/m1/s1
• InChIKey: XQWFHGOIUZFQPJ-LXGDFETPSA-N

Properties

• Density: 1.528g/cm³ (Cal.)
• Boiling point: 745.864°C at 760 mmHg (Cal.)
• Flash point: 264.137°C (Cal.)