Specification
Synonyms
Aspirin-Triggered-Resolvin D1
IUPAC Name
(4Z,7S,8R,9E,11E,13Z,15E,17R,19Z)-7,8,17-trihydroxydocosa-4,9,11,13,15,19-hexaenoic acid
Canonical SMILES
CCC=CC[C@H](C=CC=CC=CC=C[C@H](C(CC=CCCC(=O)O)O)O)O
InChI
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+/m1/s1
InChI Key
OIWTWACQMDFHJG-BJEBZIPWSA-N
Boiling Point
609.2 °C at 760 mmHg
Flash Point
336.3±28.0 °C
Appearance
A solution in ethanol
Refractive Index
1.56 (Predicted)