1-(beta-D-Glucopyranosyloxy)-2,6,7-Trimethoxy-(1)Benzopyrano(5,4,3-cde)(1)Benzopyran-5,10-Dione
[CAS# 114942-09-5]

Identification

• Name: 1-(beta-D-Glucopyranosyloxy)-2,6,7-Trimethoxy-(1)Benzopyrano(5,4,3-cde)(1)Benzopyran-5,10-Dione
• Synonyms: 3,7,8-Tri-O-Methylellagic Acid 4-Glucoside; Tmeag
• Molecular Formula: C₂₃H₂₂O₁₃
• Molecular Weight: 506.42
• CAS Registry Number: 114942-09-5
• SMILES: [C@H]5(OC1=C(C=C4C2=C1C(OC3=C2C(=C(C(=C3)OC)OC)C(O4)=O)=O)OC)[C@H](O)[C@@H](O)[C@H](O)[C@H](O5)CO
• InChI: 1S/C23H22O13/c1-30-9-4-7-12-13-8(33-21(28)14(12)19(9)32-3)5-10(31-2)20(15(13)22(29)34-7)36-23-18(27)17(26)16(25)11(6-24)35-23/h4-5,11,16-18,23-27H,6H2,1-3H3/t11-,16-,17+,18-,23+/m1/s1
• InChIKey: GTSLCJJADQBPEM-WBKKLFQOSA-N

Properties

• Density: 1.625g/cm³ (Cal.)
• Boiling point: 848.586°C at 760 mmHg (Cal.)
• Flash point: 294.365°C (Cal.)