Keto-Rubratoxin B
[CAS 30213-35-5]

Identification

• Name: Keto-Rubratoxin B
• Synonyms: Brn 1613826; Ketorubratoxin B
• Molecular Formula: C₂₆H₂₈O₁₁
• Molecular Weight: 516.50
• CAS Registry Number: 30213-35-5
• SMILES: C(C(=O)C2C1=C(C(OC1=O)=O)CC(CC3=C(C2O)C(OC3=O)=O)C(O)C4OC(=O)C=CC4)CCCCC
• InChI: 1S/C26H28O11/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/h6,9,12,16,20-22,29-30H,2-5,7-8,10-11H2,1H3
• InChIKey: VBNDYNDZONSETH-UHFFFAOYSA-N

Properties

• Density: 1.453g/cm³ (Cal.)
• Boiling point: 809.246°C at 760 mmHg (Cal.)
• Flash point: 273.245°C (Cal.)