(5E,8R,9E,11Z)-8-acetyl-9-formyl-heptadeca-5,9,11-trienoic acid
[CAS# 121843-91-2]

Identification

• Name: (5E,8R,9E,11Z)-8-acetyl-9-formyl-heptadeca-5,9,11-trienoic acid
• Synonyms: (5E,8R,9E,11Z)-8-Acetyl-9-Formyl-Heptadeca-5,9,11-Trienoic Acid; (5E,8R,9E,11Z)-8-Ethanoyl-9-Methanoyl-Heptadeca-5,9,11-Trienoic Acid; Anhydrolevuglandin E2
• Molecular Formula: C₂₀H₃₀O₄
• Molecular Weight: 334.45
• CAS Registry Number: 121843-91-2
• SMILES: [C@@H](\C(=C/C=C\CCCCC)C=O)(C(=O)C)C\C=C\CCCC(=O)O
• InChI: 1S/C20H30O4/c1-3-4-5-6-7-10-13-18(16-21)19(17(2)22)14-11-8-9-12-15-20(23)24/h7-8,10-11,13,16,19H,3-6,9,12,14-15H2,1-2H3,(H,23,24)/b10-7-,11-8+,18-13-/t19-/m0/s1
• InChIKey: MJHZHXOYFNMTIG-XVEPUDQLSA-N

Properties

• Density: 1.017g/cm³ (Cal.)
• Boiling point: 517.673°C at 760 mmHg (Cal.)
• Flash point: 280.962°C (Cal.)