(5Z,8Z,11Z,13E,15S,17Z)-15-Hydroperoxy-5,8,11,13,17-Icosapentaenoic Acid
[CAS# 125992-60-1]

Identification

• Name: (5Z,8Z,11Z,13E,15S,17Z)-15-Hydroperoxy-5,8,11,13,17-Icosapentaenoic Acid
• Synonyms: "15S-hydroperoxy-5Z,8Z,11Z,13E,17Z-eicosapentaenoic acid"; (5Z,8Z,11Z,13E,15S,17Z)-15-Hydroperoxy-5,8,11,13,17-icosapentaenoic acid; (5Z,8Z,11Z,13E,15S,17Z)-15-Hydroperoxy-5,8,11,13,17-icosapentaensäure
• Molecular Formula: C₂₀H₃₀O₄
• Molecular Weight: 334.45
• CAS Registry Number: 125992-60-1
• SMILES: CC/C=C\C[C@@H](/C=C/C=C\C/C=C\C/C=C\CCCC(=O)O)OO
• InChI: 1S/C20H30O4/c1-2-3-13-16-19(24-23)17-14-11-9-7-5-4-6-8-10-12-15-18-20(21)22/h3-5,8-11,13-14,17,19,23H,2,6-7,12,15-16,18H2,1H3,(H,21,22)/b5-4-,10-8-,11-9-,13-3-,17-14+/t19-/m0/s1
• InChIKey: FPMFSFWYWZLDKP-DBVSHIMFSA-N

Properties

• Density: 1.0±0.1g/cm³ (Cal.)
• Boiling point: 518.8±50.0°C at 760 mmHg (Cal.)
• Flash point: 176.8±23.6°C (Cal.)
• Refractive index: 1.525 (Cal.)