(3E,5E,7E,9E,12E)-1,1-Dihydroxy-1,3,5,7,9,12-docosahexaen-11-one
[CAS# 86360-68-1]

Identification

• Name: (3E,5E,7E,9E,12E)-1,1-Dihydroxy-1,3,5,7,9,12-docosahexaen-11-one
• Synonyms: 11-Hydroxydocosahexaenoate; 11-hydroxydocosahexaenoic acid; Docosahexaenoic acid, 11-hydroxy-
• Molecular Formula: C₂₂H₃₂O₃
• Molecular Weight: 344.49
• CAS Registry Number: 86360-68-1
• SMILES: O=C(/C=C/CCCCCCCCC)\C=C\C=C\C=C\C=C\C=C(/O)O
• InChI: 1S/C22H32O3/c1-2-3-4-5-6-7-9-12-15-18-21(23)19-16-13-10-8-11-14-17-20-22(24)25/h8,10-11,13-20,24-25H,2-7,9,12H2,1H3/b11-8+,13-10+,17-14+,18-15+,19-16+
• InChIKey: VCXCDUBTCISABW-ZIFDWXPJSA-N

Properties

• Density: 0.998g/cm³ (Cal.)
• Boiling point: 544.041°C at 760 mmHg (Cal.)
• Flash point: 296.891°C (Cal.)