Rubratoxin B
[CAS# 21794-01-4]

Identification

• Name: Rubratoxin B
• Synonyms: 1,5-Cyclononadiene-1,2,5,6-Tetracarboxylic 1,2:5,6-Dianhydride, 8-((3,6-Dihydro-6-Oxo-2H-Pyran-2-Yl)Hydroxymethyl)-3-Hydroxy-4-(1-Hydroxyheptyl)-; 1,5-Cyclononadiene-1,2,5,6-Tetracarboxylic 1,2:5,6-Dianhydride, 8-((3,6-Dihydro-6-Oxo-2H-Pyran-2-Yl)Hydroxymethyl)-3-Hydroxy-4-(1-Hydroxyheptyl)- (8Ci); 1H-Cyclonona(1,2-C:5,6-C')Difuran-1,3,6,8(4H)-Tetrone, 10-((3,6-Dihydro-6-Oxo-2H-Pyran-2-Yl)Hydroxymethyl)-5,9,10,11-Tetrahydro-4-Hydroxy-5-(1-Hydroxyheptyl)-
• Molecular Formula: C₂₆H₃₀O₁₁
• Molecular Weight: 518.52
• CAS Registry Number: 21794-01-4
• EINECS: 244-582-6
• SMILES: C(C(C1C4=C(CC(CC2=C(C1O)C(OC2=O)=O)C(C3OC(C=CC3)=O)O)C(=O)OC4=O)O)CCCCC
• InChI: 1S/C26H30O11/c1-2-3-4-5-7-15(27)20-18-13(23(31)36-25(18)33)10-12(21(29)16-8-6-9-17(28)35-16)11-14-19(22(20)30)26(34)37-24(14)32/h6,9,12,15-16,20-22,27,29-30H,2-5,7-8,10-11H2,1H3
• InChIKey: ZJTBTDVZNGBSNG-UHFFFAOYSA-N

Properties

• Density: 1.454g/cm³ (Cal.)
• Boiling point: 807.387°C at 760 mmHg (Cal.)
• Flash point: 271.761°C (Cal.)