(4Z,7R,8E,10Z,12E,14E,17S,19Z)-7,16,17-Trihydroxy-4,8,10,12,14,19-docosahexaenoic acid
[CAS# 82864-77-5]

Identification

• Name: (4Z,7R,8E,10Z,12E,14E,17S,19Z)-7,16,17-Trihydroxy-4,8,10,12,14,19-docosahexaenoic acid
• Molecular Formula: C₂₂H₃₂O₅
• Molecular Weight: 376.49
• CAS Registry Number: 82864-77-5
• SMILES: O=C(O)CC/C=C\C[C@@H](O)/C=C/C=C\C=C\C=C\C(O)[C@@H](O)C\C=C/CC
• InChI: 1S/C22H32O5/c1-2-3-9-16-20(24)21(25)17-12-7-5-4-6-10-14-19(23)15-11-8-13-18-22(26)27/h3-12,14,17,19-21,23-25H,2,13,15-16,18H2,1H3,(H,26,27)/b6-4-,7-5+,9-3-,11-8-,14-10+,17-12+/t19-,20-,21?/m0/s1
• InChIKey: IKFAUGXNBOBQDM-GIINMYNKSA-N

Properties

• Density: 1.102g/cm³ (Cal.)
• Boiling point: 609.24°C at 760 mmHg (Cal.)
• Flash point: 336.279°C (Cal.)