(Z)-7-[(1S,2R,5R)-1-[(E,3S)-3-Hydroxyoct-1-Enyl]-3-Oxo-2-Bicyclo[3.1.0]Hexanyl]Hept-5-Enoic Acid
[CAS# 102769-45-9]

Identification

• Name: (Z)-7-[(1S,2R,5R)-1-[(E,3S)-3-Hydroxyoct-1-Enyl]-3-Oxo-2-Bicyclo[3.1.0]Hexanyl]Hept-5-Enoic Acid
• Synonyms: (Z)-7-[(1S,2R,5R)-1-[(E,3S)-3-Hydroxyoct-1-Enyl]-3-Keto-2-Bicyclo[3.1.0]Hexanyl]Hept-5-Enoic Acid; 11-Dm-Pge2; 11-Deoxy-11,12-Methanoprostaglandin E2
• Molecular Formula: C₂₁H₃₂O₄
• Molecular Weight: 348.48
• CAS Registry Number: 102769-45-9
• SMILES: [C@]12([C@@H](C\C=C/CCCC(=O)O)C(C[C@H]1C2)=O)\C=C\[C@H](CCCCC)O
• InChI: 1S/C21H32O4/c1-2-3-6-9-17(22)12-13-21-15-16(21)14-19(23)18(21)10-7-4-5-8-11-20(24)25/h4,7,12-13,16-18,22H,2-3,5-6,8-11,14-15H2,1H3,(H,24,25)/b7-4-,13-12+/t16-,17-,18-,21-/m0/s1
• InChIKey: DAPQUCOVYRBPOI-IFZJGULLSA-N

Properties

• Density: 1.149g/cm³ (Cal.)
• Boiling point: 518.218°C at 760 mmHg (Cal.)
• Flash point: 281.291°C (Cal.)