Methyl 4-{3-[(1Z,3E,5E,8E)-1,3,5,8-tetradecatetraen-1-yl]-2-oxiranyl}butanoate
[CAS# 72345-92-7]

Identification

• Name: Methyl 4-{3-[(1Z,3E,5E,8E)-1,3,5,8-tetradecatetraen-1-yl]-2-oxiranyl}butanoate
• Synonyms: LEUKOTRIENEA4METHYLESTER
• Molecular Formula: C₂₁H₃₂O₃
• Molecular Weight: 332.48
• CAS Registry Number: 72345-92-7
• SMILES: CCCCC/C=C/C/C=C/C=C/C=C\C1C(O1)CCCC(=O)OC
• InChI: 1S/C21H32O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-16-19-20(24-19)17-15-18-21(22)23-2/h7-8,10-14,16,19-20H,3-6,9,15,17-18H2,1-2H3/b8-7+,11-10+,13-12+,16-14-
• InChIKey: WTKAVFHPLJFCMZ-XRQYYYDCSA-N

Properties

• Density: 1.0±0.1g/cm³ (Cal.)
• Boiling point: 442.5±25.0°C at 760 mmHg (Cal.)
• Flash point: 167.7±8.1°C (Cal.)