Irisquinone
[CAS# 56495-82-0]

Identification

• Classification: API >> Antineoplastic agents >> Natural source antineoplastic agents
• Name: Irisquinone
• Synonyms: 2-[(Z)-Heptadec-10-Enyl]-6-Methoxy-1,4-Benzoquinone; 2-[(Z)-Heptadec-10-Enyl]-6-Methoxy-P-Benzoquinone; 2-[(Z)-Heptadec-10-Enyl]-6-Methoxy-Cyclohexa-2,5-Diene-1,4-Dione
• Molecular Formula: C₂₄H₃₈O₃
• Molecular Weight: 374.56
• CAS Registry Number: 56495-82-0
• SMILES: C(C1=CC(=O)C=C(C1=O)OC)CCCCCCCC\C=C/CCCCCC
• InChI: 1S/C24H38O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-19-22(25)20-23(27-2)24(21)26/h8-9,19-20H,3-7,10-18H2,1-2H3/b9-8-
• InChIKey: YYCCUFKHCNSRIA-HJWRWDBZSA-N

Properties

• Density: 0.977g/cm³ (Cal.)
• Boiling point: 483.418°C at 760 mmHg (Cal.)
• Flash point: 205.129°C (Cal.)