[2S-[2a(5R*,6E,8Z,10E,12E),3b]]-5-Hydroxy-13-(3-pentyloxiranyl)-6,8,10,12-Tridecatetraenoic acid
[CAS# 114144-28-4]

Identification

• Name: [2S-[2a(5R*,6E,8Z,10E,12E),3b]]-5-Hydroxy-13-(3-pentyloxiranyl)-6,8,10,12-Tridecatetraenoic acid
• Synonyms: (5S,6E,8Z,10E,12E)-5-Hydroxy-13-[(2S,3S)-3-Pentyl-2-Oxiranyl]Trideca-6,8,10,12-Tetraenoic Acid; (5S,6E,8Z,10E,12E)-13-[(2S,3S)-3-Amyloxiran-2-Yl]-5-Hydroxy-Trideca-6,8,10,12-Tetraenoic Acid; 5-Hydroxy-14,15-Oxido-6,10,12,8-Eicosatetraenoic Acid
• Molecular Formula: C₂₀H₃₀O₄
• Molecular Weight: 334.45
• CAS Registry Number: 114144-28-4
• SMILES: [C@H](CCCC(=O)O)(\C=C\C=C/C=C/C=C/[C@@H]1O[C@H]1CCCCC)O
• InChI: 1S/C20H30O4/c1-2-3-8-14-18-19(24-18)15-10-7-5-4-6-9-12-17(21)13-11-16-20(22)23/h4-7,9-10,12,15,17-19,21H,2-3,8,11,13-14,16H2,1H3,(H,22,23)/b6-4-,7-5+,12-9+,15-10+/t17-,18+,19+/m1/s1
• InChIKey: OJGVQCWEMKCHQR-ZPODFEQKSA-N

Properties

• Density: 1.094g/cm³ (Cal.)
• Boiling point: 533.095°C at 760 mmHg (Cal.)
• Flash point: 184.093°C (Cal.)