(5Z,8Z,10E,12S,14Z,17Z)-12-Hydroxy-5,8,10,14,17-Icosapentaenoic Acid
[CAS# 116180-17-7]

Identification

• Name: (5Z,8Z,10E,12S,14Z,17Z)-12-Hydroxy-5,8,10,14,17-Icosapentaenoic Acid
• Synonyms: "12S-hydroxy-5Z,8Z,10E,14Z,17Z-eicosapentaenoic acid"; (±)12-HEPE; (5Z,8Z,10E,12S,14Z,17Z)-12-Hydroxy-5,8,10,14,17-icosapentaenoic acid
• Molecular Formula: C₂₀H₃₀O₃
• Molecular Weight: 318.45
• CAS Registry Number: 116180-17-7
• SMILES: O=C(O)CCC\C=C/C/C=C\C=C\[C@@H](O)C\C=C/C\C=C/CC
• InChI: 1S/C20H30O3/c1-2-3-4-5-10-13-16-19(21)17-14-11-8-6-7-9-12-15-18-20(22)23/h3-4,7-11,13-14,17,19,21H,2,5-6,12,15-16,18H2,1H3,(H,22,23)/b4-3-,9-7-,11-8-,13-10-,17-14+/t19-/m0/s1
• InChIKey: MCRJLMXYVFDXLS-UOLHMMFFSA-N

Properties

• Density: 0.997g/cm³ (Cal.)
• Boiling point: 488.04°C at 760 mmHg (Cal.)
• Flash point: 263.06°C (Cal.)
• Refractive index: 1.526 (Cal.)