(4Z,7S,8R,9E,11E,13Z,15E,17S,19Z)-7,8,17-Trihydroxy-4,9,11,13,15,19-docosahexaenoic acid
[CAS# 872993-05-0]

Identification

• Name: (4Z,7S,8R,9E,11E,13Z,15E,17S,19Z)-7,8,17-Trihydroxy-4,9,11,13,15,19-docosahexaenoic acid
• Synonyms: "7S,8R,17S-trihydroxy-4Z,9E,11E,13Z,15E,19Z-docosahexaenoic acid"; Resolvin D1
• Molecular Formula: C₂₂H₃₂O₅
• Molecular Weight: 376.49
• CAS Registry Number: 872993-05-0
• SMILES: CC/C=C\C[C@@H](/C=C/C=C\C=C\C=C\[C@H]([C@H](C/C=C\CCC(=O)O)O)O)O
• InChI: 1S/C22H32O5/c1-2-3-9-14-19(23)15-10-6-4-5-7-11-16-20(24)21(25)17-12-8-13-18-22(26)27/h3-12,15-16,19-21,23-25H,2,13-14,17-18H2,1H3,(H,26,27)/b6-4-,7-5+,9-3-,12-8-,15-10+,16-11+/t19-,20+,21-/m0/s1
• InChIKey: OIWTWACQMDFHJG-CCFUIAGSSA-N

Properties

• Density: 1.1±0.1g/cm³ (Cal.)
• Boiling point: 609.2±55.0°C at 760 mmHg (Cal.)
• Flash point: 336.3±28.0°C (Cal.)
• Refractive index: 1.559 (Cal.)