Tellimagrandin II
[CAS# 81571-72-4]

Identification

• Name: Tellimagrandin II
• Synonyms: .Beta.-D-Glucopyranose, Cyclic 4,6-[(1S)-4,4',5,5',6,6'-Hexahydroxy[1,1'-Biphenyl]-2,2'-Dicarboxylate] 1,2,3-Tris(3,4,5-Trihydroxybenzoate); Aids-070905; Aids070905
• Molecular Formula: C₄₁H₃₀O₂₆
• Molecular Weight: 938.67
• CAS Registry Number: 81571-72-4
• SMILES: C1=C(C(=C(C3=C1C(OC2C(C(C(OC2COC(C4=CC(=C(C(=C34)O)O)O)=O)OC(C5=CC(=C(C(=C5)O)O)O)=O)OC(C6=CC(=C(O)C(=C6)O)O)=O)OC(C7=CC(=C(C(=C7)O)O)O)=O)=O)O)O)O
• InChI: 1S/C41H30O26/c42-15-1-10(2-16(43)26(15)50)36(57)65-34-33-23(9-62-39(60)13-7-21(48)29(53)31(55)24(13)25-14(40(61)64-33)8-22(49)30(54)32(25)56)63-41(67-38(59)12-5-19(46)28(52)20(47)6-12)35(34)66-37(58)11-3-17(44)27(51)18(45)4-11/h1-8,23,33-35,41-56H,9H2
• InChIKey: JCGHAEBIBSEQAD-UHFFFAOYSA-N

Properties

• Density: 2.139g/cm³ (Cal.)
• Boiling point: 1503.692°C at 760 mmHg (Cal.)
• Flash point: 450.834°C (Cal.)