(5Z,12Z,14E)-9-Oxoprosta-5,10,12,14-Tetraen-1-Oic Acid
[CAS# 112839-31-3]

Identification

• Name: (5Z,12Z,14E)-9-Oxoprosta-5,10,12,14-Tetraen-1-Oic Acid
• Synonyms: "15-deoxy-?12,14-Prostaglandin A2"; "9-oxo-prosta-5Z,10,12Z,14E-tetraen-1-oic acid"; (5Z,12Z,14E)-9-oxoprosta-5,10,12,14-tetraen-1-oic acid
• Molecular Formula: C₂₀H₂₈O₃
• Molecular Weight: 316.43
• CAS Registry Number: 112839-31-3
• SMILES: O=C1/C=C\C(=C\C=C\CCCCC)[C@H]1C\C=C/CCCC(=O)O
• InChI: 1S/C20H28O3/c1-2-3-4-5-6-9-12-17-15-16-19(21)18(17)13-10-7-8-11-14-20(22)23/h6-7,9-10,12,15-16,18H,2-5,8,11,13-14H2,1H3,(H,22,23)/b9-6+,10-7-,17-12-/t18-/m1/s1
• InChIKey: BHHHGDAJJMEHST-NBIYZLHXSA-N

Properties

• Density: 1.066g/cm³ (Cal.)
• Boiling point: 498.962°C at 760 mmHg (Cal.)
• Flash point: 269.659°C (Cal.)
• Refractive index: 1.557 (Cal.)