alpha-D-Glucopyranose, Cyclic 2,3:4,6-Bis(4,4',5,5',6,6'-Hexahydroxy(1,1'-Biphenyl)-2,2'-Dicarboxylate)
[CAS# 7045-42-3]

Identification

• Name: alpha-D-Glucopyranose, Cyclic 2,3:4,6-Bis(4,4',5,5',6,6'-Hexahydroxy(1,1'-Biphenyl)-2,2'-Dicarboxylate)
• Synonyms: Pedunculagin
• Molecular Formula: C₃₄H₂₄O₂₂
• Molecular Weight: 784.55
• CAS Registry Number: 7045-42-3
• SMILES: [C@H]24[C@@H](OC(C1=CC(=C(O)C(=C1C3=C(C(O2)=O)C=C(C(=C3O)O)O)O)O)=O)C(O)O[C@H]5[C@H]4OC(C7=C(C6=C(C(OC5)=O)C=C(O)C(=C6O)O)C(=C(C(=C7)O)O)O)=O
• InChI: 1S/C34H24O22/c35-10-1-6-15(23(43)19(10)39)16-7(2-11(36)20(40)24(16)44)31(48)54-27-14(5-52-30(6)47)53-34(51)29-28(27)55-32(49)8-3-12(37)21(41)25(45)17(8)18-9(33(50)56-29)4-13(38)22(42)26(18)46/h1-4,14,27-29,34-46,51H,5H2/t14-,27-,28+,29-,34?/m1/s1
• InChIKey: IYMHVUYNBVWXKH-ZITZVVOASA-N

Properties

• Density: 1.92g/cm³ (Cal.)
• Boiling point: 1578.039°C at 760 mmHg (Cal.)
• Flash point: 487.866°C (Cal.)