(5S,6E,8Z,10E,12R)-5,12-Dihydroxy-6,8,10-Icosatrienoic Acid
[CAS# 114616-11-4]

Identification

• Name: (5S,6E,8Z,10E,12R)-5,12-Dihydroxy-6,8,10-Icosatrienoic Acid
• Synonyms: "14,15-dehydro Leukotriene B4"; "5S,12R-dihydroxy-6Z,8E,10E-eicosatrien-14-ynoic acid"; "5S,12R-dihydroxy-6Z,8E,10E-eicosatrienoic acid"
• Molecular Formula: C₂₀H₃₄O₄
• Molecular Weight: 338.48
• CAS Registry Number: 114616-11-4
• SMILES: CCCCCCCCC(C=CC=CC=CC(CCCC(=O)O)O)O
• InChI: 1S/C20H34O4/c1-2-3-4-5-6-9-13-18(21)14-10-7-8-11-15-19(22)16-12-17-20(23)24/h7-8,10-11,14-15,18-19,21-22H,2-6,9,12-13,16-17H2,1H3,(H,23,24)/b8-7-,14-10+,15-11+/t18-,19-/m1/s1
• InChIKey: NGTXCORNXNELNU-SCFGRGRNSA-N

Properties

• Density: 1.026g/cm³ (Cal.)
• Boiling point: 525.927°C at 760 mmHg (Cal.)
• Flash point: 285.948°C (Cal.)
• Refractive index: 1.514 (Cal.)