(Z)-7-[(1S,5E)-5-[(3S)-3-Hydroxyoctylidene]-4-Oxo-1-Cyclopent-2-Enyl]Hept-5-Enoic Acid
[CAS# 102839-03-2]

Identification

• Name: (Z)-7-[(1S,5E)-5-[(3S)-3-Hydroxyoctylidene]-4-Oxo-1-Cyclopent-2-Enyl]Hept-5-Enoic Acid
• Synonyms: (Z)-7-[(1S,5E)-5-[(3S)-3-Hydroxyoctylidene]-4-Keto-1-Cyclopent-2-Enyl]Hept-5-Enoic Acid; 11-Oxo-15S-Hydroxy-5Z,9Z,13E-Prostatrienoic Acid; Lmfa03010020
• Molecular Formula: C₂₀H₃₀O₄
• Molecular Weight: 334.45
• CAS Registry Number: 102839-03-2
• SMILES: [C@H]1(\C(C(=O)C=C1)=C/C[C@@H](O)CCCCC)C\C=C/CCCC(=O)O
• InChI: 1S/C20H30O4/c1-2-3-6-10-17(21)13-14-18-16(12-15-19(18)22)9-7-4-5-8-11-20(23)24/h4,7,12,14-17,21H,2-3,5-6,8-11,13H2,1H3,(H,23,24)/b7-4-,18-14+/t16-,17-/m0/s1
• InChIKey: TUXFWOHFPFBNEJ-GJGHEGAFSA-N

Properties

• Density: 1.111g/cm³ (Cal.)
• Boiling point: 531.24°C at 760 mmHg (Cal.)
• Flash point: 289.158°C (Cal.)