(5Z)-7-{(1R,2R,3R,5S)-3,5-Dihydroxy-2-[(1E,3R)-3-Hydroxy-4-Phenoxy-1-Buten-1-Yl]Cyclopentyl}-5-Heptenoic Acid
[CAS# 51705-19-2]

Identification

• Name: (5Z)-7-{(1R,2R,3R,5S)-3,5-Dihydroxy-2-[(1E,3R)-3-Hydroxy-4-Phenoxy-1-Buten-1-Yl]Cyclopentyl}-5-Heptenoic Acid
• Synonyms: 16-PHENOXYTETRANORPROSTAGLANDINF2α; 16-Phenoxy-ω-Tetranor PGF-2α
• Molecular Formula: C₂₂H₃₀O₆
• Molecular Weight: 390.47
• CAS Registry Number: 51705-19-2
• SMILES: C1[C@@H]([C@@H]([C@H]([C@@H]1O)/C=C/[C@H](COC2=CC=CC=C2)O)C/C=C\CCCC(=O)O)O
• InChI: 1S/C22H30O6/c23-16(15-28-17-8-4-3-5-9-17)12-13-19-18(20(24)14-21(19)25)10-6-1-2-7-11-22(26)27/h1,3-6,8-9,12-13,16,18-21,23-25H,2,7,10-11,14-15H2,(H,26,27)/b6-1-,13-12+/t16-,18-,19-,20+,21-/m1/s1
• InChIKey: FAPQZCFUFGJPFI-UEAHRUCRSA-N

Properties

• Density: 1.3±0.1g/cm³ (Cal.)
• Boiling point: 605.0±55.0°C at 760 mmHg (Cal.)
• Flash point: 207.6±25.0°C (Cal.)