(1aR,4R,7aS,10aS,10bR)-2,3,4,5,6,7,7a,8,10a,10b-Decahydro-4-Hydroperoxy-1alpha-Methyl-5,8-Bis(Methylene)Oxireno[9,10]Cyclodeca[1,2-b]Furan-9(1aH)-One
[CAS# 64845-91-6]

Identification

• Name: (1aR,4R,7aS,10aS,10bR)-2,3,4,5,6,7,7a,8,10a,10b-Decahydro-4-Hydroperoxy-1alpha-Methyl-5,8-Bis(Methylene)Oxireno[9,10]Cyclodeca[1,2-b]Furan-9(1aH)-One
• Synonyms: Peroxyparthenolide
• Molecular Formula: C₁₅H₂₀O₅
• Molecular Weight: 280.32
• CAS Registry Number: 64845-91-6
• SMILES: CC13OC1C2OC(=O)C(C2CCC(C(OO)CC3)=C)=C
• InChI: 1S/C15H20O5/c1-8-4-5-10-9(2)14(16)18-12(10)13-15(3,19-13)7-6-11(8)20-17/h10-13,17H,1-2,4-7H2,3H3
• InChIKey: LVTLWUXRARHGCA-UHFFFAOYSA-N

Properties

• Density: 1.241g/cm³ (Cal.)
• Boiling point: 476.462°C at 760 mmHg (Cal.)
• Flash point: 178.737°C (Cal.)