(5R,6E,8Z,10E,12R)-5,12-Dihydroxy-12-Methylicosa-6,8,10-Trienoic Acid
[CAS# 148504-32-9]

Identification

• Name: (5R,6E,8Z,10E,12R)-5,12-Dihydroxy-12-Methylicosa-6,8,10-Trienoic Acid
• Synonyms: (5R,6E,8Z,10E,12R)-5,12-Dihydroxy-12-Methyl-Icosa-6,8,10-Trienoic Acid; 12-Me-Ltb3; 12-Methylleukotriene B3
• Molecular Formula: C₂₁H₃₆O₄
• Molecular Weight: 352.51
• CAS Registry Number: 148504-32-9
• SMILES: [C@@](O)(\C=C\C=C/C=C/[C@H](O)CCCC(=O)O)(CCCCCCCC)C
• InChI: 1S/C21H36O4/c1-3-4-5-6-8-11-17-21(2,25)18-12-9-7-10-14-19(22)15-13-16-20(23)24/h7,9-10,12,14,18-19,22,25H,3-6,8,11,13,15-17H2,1-2H3,(H,23,24)/b9-7-,14-10+,18-12+/t19-,21+/m0/s1
• InChIKey: QGNHHEMELCDLOF-SPBBVZBHSA-N

Properties

• Density: 1.019g/cm³ (Cal.)
• Boiling point: 531.733°C at 760 mmHg (Cal.)
• Flash point: 289.455°C (Cal.)