(5Z,8Z,11Z)-13-[(2R,3S)-3-Pentyl-2-oxiranyl]-5,8,11-tridecatrienoic acid
[CAS# 98103-48-1]

Identification

• Name: (5Z,8Z,11Z)-13-[(2R,3S)-3-Pentyl-2-oxiranyl]-5,8,11-tridecatrienoic acid
• Synonyms: 14(R),15(S)-EPOXY-(5Z,8Z,11Z)-EICOSATRIENOICACID; 14(S),15(R)-EET
• Molecular Formula: C₂₀H₃₂O₃
• Molecular Weight: 320.47
• CAS Registry Number: 98103-48-1
• SMILES: CCCCC[C@H]1[C@H](O1)C/C=C\C/C=C\C/C=C\CCCC(=O)O
• InChI: 1S/C20H32O3/c1-2-3-12-15-18-19(23-18)16-13-10-8-6-4-5-7-9-11-14-17-20(21)22/h4,6-7,9-10,13,18-19H,2-3,5,8,11-12,14-17H2,1H3,(H,21,22)/b6-4-,9-7-,13-10-/t18-,19+/m0/s1
• InChIKey: JBSCUHKPLGKXKH-LLZJRKGESA-N

Properties

• Density: 1.0±0.1g/cm³ (Cal.)
• Boiling point: 464.5±33.0°C at 760 mmHg (Cal.)
• Flash point: 155.7±18.9°C (Cal.)