(4E,6E,10Z,13Z,16Z,19Z)-8-Hydroxy-4,6,10,13,16,19-docosahexaenoic acid
[CAS# 90780-54-4]

Identification

• Name: (4E,6E,10Z,13Z,16Z,19Z)-8-Hydroxy-4,6,10,13,16,19-docosahexaenoic acid
• Synonyms: "(±)8-hydroxy-4Z,6E,10Z,13Z,16Z,19Z-docosahexaenoic acid"; (±)8-HDoHE; (ñ)8-HDoHE
• Molecular Formula: C₂₂H₃₂O₃
• Molecular Weight: 344.49
• CAS Registry Number: 90780-54-4
• SMILES: CCC=CCC=CCC=CCC=CCC(C=CC=CCCC(=O)O)O
• InChI: 1S/C22H32O3/c1-2-3-4-5-6-7-8-9-10-11-12-15-18-21(23)19-16-13-14-17-20-22(24)25/h3-4,6-7,9-10,12-16,19,21,23H,2,5,8,11,17-18,20H2,1H3,(H,24,25)/b4-3-,7-6-,10-9-,14-13+,15-12-,19-16+
• InChIKey: ZHBVYDMSPDDAKE-KSOSSLAQSA-N

Properties

• Density: 0.996g/cm³ (Cal.)
• Boiling point: 506.859°C at 760 mmHg (Cal.)
• Flash point: 274.429°C (Cal.)