Ailanthinone
[CAS# 53683-73-1]

Identification

• Name: Ailanthinone
• Synonyms: Nsc 277285; Picras-3-Ene-2,16-Dione, 11,20-Epoxy-1,11,12-Trihydroxy-15-(2-Methyl-1-Oxobutoxy)-, (1.Beta.,11.Beta.,12.Alpha.,15.Vwr.)-; Ailanthinone
• Molecular Formula: C₂₅H₃₄O₉
• Molecular Weight: 478.54
• CAS Registry Number: 53683-73-1
• SMILES: C(C(C(OC2C5C14C(C3(C)C(CC1OC2=O)C(=CC(C3O)=O)C)C(O)(OC4)C(O)C5C)=O)C)C
• InChI: 1S/C25H34O9/c1-6-10(2)20(29)34-17-16-12(4)18(27)25(31)22-23(5)13(11(3)7-14(26)19(23)28)8-15(33-21(17)30)24(16,22)9-32-25/h7,10,12-13,15-19,22,27-28,31H,6,8-9H2,1-5H3
• InChIKey: GCIFFNDSOLTCAI-UHFFFAOYSA-N

Properties

• Density: 1.387g/cm³ (Cal.)
• Boiling point: 672.281°C at 760 mmHg (Cal.)
• Flash point: 226.219°C (Cal.)