Methyl (5S,6R,7E,9E,11Z,13E,15R)-5,6,15-trihydroxy-7,9,11,13-icosatetraenoate
[CAS# 97643-35-1]

Identification

• Name: Methyl (5S,6R,7E,9E,11Z,13E,15R)-5,6,15-trihydroxy-7,9,11,13-icosatetraenoate
• Synonyms: "5(S),6(R)-Lipoxin A4 methyl ester"; "5S,6R,15S-trihydroxy-7E,9E,11Z,13E-eicosatetraenoic acid, methyl ester"; 5(S),6(R)-Lipoxin A4 methyl ester
• Molecular Formula: C₂₁H₃₄O₅
• Molecular Weight: 366.49
• CAS Registry Number: 97643-35-1
• SMILES: O=C(OC)CCC[C@H](O)[C@H](O)\C=C\C=C\C=C/C=C/[C@H](O)CCCCC
• InChI: 1S/C21H34O5/c1-3-4-9-13-18(22)14-10-7-5-6-8-11-15-19(23)20(24)16-12-17-21(25)26-2/h5-8,10-11,14-15,18-20,22-24H,3-4,9,12-13,16-17H2,1-2H3/b7-5-,8-6+,14-10+,15-11+/t18-,19-,20+/m1/s1
• InChIKey: UBPCKDCSZPRQJP-LUOMNJIASA-N

Properties

• Density: 1.057g/cm³ (Cal.)
• Boiling point: 540.24°C at 760 mmHg (Cal.)
• Flash point: 180.484°C (Cal.)