11beta,20-Epoxy-1beta,11alpha,12alpha-Trihydroxy-15beta-(2-Methyl-1-Oxobutoxy)Picrasa-3,13(21)-Diene-2,16-Dione
[CAS# 53683-70-8]

Identification

• Name: 11beta,20-Epoxy-1beta,11alpha,12alpha-Trihydroxy-15beta-(2-Methyl-1-Oxobutoxy)Picrasa-3,13(21)-Diene-2,16-Dione
• Synonyms: Dehydroailanthinone; Nsc238188; Picrasa-3,13[21]-Diene-2,16-Dione, 11,20-Epoxy-1,11,12-Trihydroxy-15-(2-Methyl-1-Oxobutoxy)-
• Molecular Formula: C₂₅H₃₂O₉
• Molecular Weight: 476.52
• CAS Registry Number: 53683-70-8
• SMILES: [C@]124[C@H]3[C@@]5([C@@H](C[C@H]1OC(=O)[C@H](OC(=O)C(CC)C)[C@H]2C([C@@H](O)C3(OC4)O)=C)C(=CC(=O)[C@H]5O)C)C
• InChI: 1S/C25H32O9/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/h7,10,13,15-19,22,27-28,31H,4,6,8-9H2,1-3,5H3/t10?,13-,15+,16+,17+,18+,19+,22+,23+,24-,25?/m0/s1
• InChIKey: JJCWYVBKJXKVFF-RXPAZESVSA-N

Properties

• Density: 1.403g/cm³ (Cal.)
• Boiling point: 683.105°C at 760 mmHg (Cal.)
• Flash point: 231.147°C (Cal.)