Methyl 3-{(2S,3R)-3-[(2Z,5Z,8Z,11Z,14Z)-2,5,8,11,14-Heptadecapentaen-1-Yl]-2-Oxiranyl}Propanoate
[CAS# 121818-29-9]

Identification

• Name: Methyl 3-{(2S,3R)-3-[(2Z,5Z,8Z,11Z,14Z)-2,5,8,11,14-Heptadecapentaen-1-Yl]-2-Oxiranyl}Propanoate
• Synonyms: "4,5-epoxy-7Z,10Z,13Z,16Z,19Z-docosapentaenoic acid, methyl ester"; 4(5)-EpDPE methyl ester; 4,5-epoxy-7Z,10Z,13Z,16Z,19Z-docosapentaenoic acid, methyl ester
• Molecular Formula: C₂₃H₃₄O₃
• Molecular Weight: 358.51
• CAS Registry Number: 121818-29-9
• SMILES: CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C[C@@H]1[C@@H](O1)CCC(=O)OC
• InChI: 1S/C23H34O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-22(26-21)19-20-23(24)25-2/h4-5,7-8,10-11,13-14,16-17,21-22H,3,6,9,12,15,18-20H2,1-2H3/b5-4-,8-7-,11-10-,14-13-,17-16-/t21-,22+/m1/s1
• InChIKey: WBYKJDXNMZXEMM-AGCIBMADSA-N

Properties

• Density: 1.0±0.1g/cm³ (Cal.)
• Boiling point: 451.3±40.0°C at 760 mmHg (Cal.)
• Flash point: 170.6±12.2°C (Cal.)
• Refractive index: 1.505 (Cal.)