(5Z,8Z,11Z)-13-{(2S,3R)-3-[(2Z)-2-Penten-1-Yl]-2-Oxiranyl}-5,8,11-Tridecatrienoic Acid
[CAS# 131339-24-7]

Identification

• Name: (5Z,8Z,11Z)-13-{(2S,3R)-3-[(2Z)-2-Penten-1-Yl]-2-Oxiranyl}-5,8,11-Tridecatrienoic Acid
• Synonyms: "(±)14(15)-epoxy-5Z,8Z,11Z,17Z-eicosatetraenoic acid"; (ñ)14(15)-epoxy-5Z,8Z,11Z,17Z-eicosatetraenoic acid; 14(15)-EpETE
• Molecular Formula: C₂₀H₃₀O₃
• Molecular Weight: 318.45
• CAS Registry Number: 131339-24-7
• SMILES: CC/C=C\C[C@@H]1[C@@H](O1)C/C=C\C/C=C\C/C=C\CCCC(=O)O
• InChI: 1S/C20H30O3/c1-2-3-12-15-18-19(23-18)16-13-10-8-6-4-5-7-9-11-14-17-20(21)22/h3-4,6-7,9-10,12-13,18-19H,2,5,8,11,14-17H2,1H3,(H,21,22)/b6-4-,9-7-,12-3-,13-10-/t18-,19+/m1/s1
• InChIKey: RGZIXZYRGZWDMI-IXQKDQKQSA-N

Properties

• Density: 1.0±0.1g/cm³ (Cal.)
• Boiling point: 464.6±33.0°C at 760 mmHg (Cal.)
• Flash point: 156.7±18.9°C (Cal.)
• Refractive index: 1.513 (Cal.)