(5Z)-7-{(1R,2S,3S,4R)-3-[(1E)-4-(4-Fluorophenoxy)-3-Hydroxy-1-Buten-1-Yl]-7-Oxabicyclo[2.2.1]Hept-2-Yl}-5-Heptenoic Acid
[CAS# 115825-93-9]

Identification

• Name: (5Z)-7-{(1R,2S,3S,4R)-3-[(1E)-4-(4-Fluorophenoxy)-3-Hydroxy-1-Buten-1-Yl]-7-Oxabicyclo[2.2.1]Hept-2-Yl}-5-Heptenoic Acid
• Synonyms: 5-Heptenoic aicd, 7-(3-(4-(4-fluorophenoxy)-3-hydroxy-1-butenyl)-7-oxabicyclo(2.2.1)hept-2-yl)-, (1α,2α(Z),3β(1E,3S*),4α)-; 9α-Homo-9,11-epoxy-15β-hydroxy-17,18,19,20-tetranor-16-(4-fluorophenoxy)-5,13-prostadienoic acid
• Molecular Formula: C₂₃H₂₉FO₅
• Molecular Weight: 404.47
• CAS Registry Number: 115825-93-9
• SMILES: Fc3ccc(OCC(O)/C=C/[C@H]2[C@@H]([C@@H]1O[C@@H]2CC1)C\C=C/CCCC(=O)O)cc3
• InChI: 1S/C23H29FO5/c24-16-7-10-18(11-8-16)28-15-17(25)9-12-20-19(21-13-14-22(20)29-21)5-3-1-2-4-6-23(26)27/h1,3,7-12,17,19-22,25H,2,4-6,13-15H2,(H,26,27)/b3-1-,12-9+/t17?,19-,20-,21+,22+/m0/s1
• InChIKey: JEUSDRLWFSRHSX-MVNJOPILSA-N

Properties

• Density: 1.235g/cm³ (Cal.)
• Boiling point: 585.351°C at 760 mmHg (Cal.)
• Flash point: 307.809°C (Cal.)
• Refractive index: 1.584 (Cal.)