Remurin A
[CAS# 140187-44-6]

Identification

• Name: Remurin A
• Synonyms: .Beta.-D-Glucopyranose, Cyclic 4,6-[(1S)-4,4',5,5',6,6'-Hexahydroxy[1,1'-Biphenyl]-2,2'-Dicarboxylate] 2-[2-(5-Carboxy-2,3-Dihydroxyphenoxy)-3,4,5-Trihydroxybenzoate] 1,3-Bis(3,4,5-Trihydroxybenzoate); Aids-070902; Aids070902
• Molecular Formula: C₄₈H₃₄O₃₁
• Molecular Weight: 1106.78
• CAS Registry Number: 140187-44-6
• SMILES: C1=C(C(=C(C(=C1C(OC3C(C2OC(C6=C(C5=C(C(OCC2OC3OC(C4=CC(=C(C(=C4)O)O)O)=O)=O)C=C(O)C(=C5O)O)C(=C(C(=C6)O)O)O)=O)OC(C7=CC(=C(O)C(=C7)O)O)=O)=O)OC8=C(C(=CC(=C8)C(=O)O)O)O)O)O)O
• InChI: 1S/C48H34O31/c49-17-2-12(3-18(50)29(17)57)43(68)77-40-39-26(10-73-45(70)14-7-22(54)32(60)35(63)27(14)28-15(46(71)76-39)8-23(55)33(61)36(28)64)75-48(79-44(69)13-4-19(51)30(58)20(52)5-13)41(40)78-47(72)16-9-24(56)34(62)37(65)38(16)74-25-6-11(42(66)67)1-21(53)31(25)59/h1-9,26,39-41,48-65H,10H2,(H,66,67)
• InChIKey: XCCSZSWHDOGTIE-UHFFFAOYSA-N

Properties

• Density: 2.19g/cm³ (Cal.)
• Boiling point: 1661.8°C at 760 mmHg (Cal.)
• Flash point: 478.9°C (Cal.)