Methyl 4-{(2S,3R)-3-[(2Z,5Z,8Z,11Z)-2,5,8,11-Tetradecatetraen-1-Yl]-2-Oxiranyl}Butanoate
[CAS# 127716-49-8]

Identification

• Name: Methyl 4-{(2S,3R)-3-[(2Z,5Z,8Z,11Z)-2,5,8,11-Tetradecatetraen-1-Yl]-2-Oxiranyl}Butanoate
• Synonyms: "(±)5(6)-epoxy-8Z,11Z,14Z,17Z-eicosatetraenoic acid, methyl ester"; (ñ)5(6)-epoxy-8Z,11Z,14Z,17Z-eicosatetraenoic acid, methyl ester; 5(6)-EpETE methyl ester
• Molecular Formula: C₂₁H₃₂O₃
• Molecular Weight: 332.48
• CAS Registry Number: 127716-49-8
• SMILES: CC/C=C\C/C=C\C/C=C\C/C=C\C[C@@H]1[C@@H](O1)CCCC(=O)OC
• InChI: 1S/C21H32O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-16-19-20(24-19)17-15-18-21(22)23-2/h4-5,7-8,10-11,13-14,19-20H,3,6,9,12,15-18H2,1-2H3/b5-4-,8-7-,11-10-,14-13-/t19-,20+/m1/s1
• InChIKey: BDSCYYACNUKQLZ-AECQIINDSA-N

Properties

• Density: 1.0±0.1g/cm³ (Cal.)
• Boiling point: 421.6±40.0°C at 760 mmHg (Cal.)
• Flash point: 160.8±12.2°C (Cal.)
• Refractive index: 1.497 (Cal.)