(5Z)-7-{(1R,2R,3R,5S)-3,5-Dihydroxy-2-[(1E,3S)-3-Hydroxy-4-Phenyl-1-Buten-1-Yl]Cyclopentyl}-5-Heptenoic Acid
[CAS# 54324-29-7]

Identification

• Name: (5Z)-7-{(1R,2R,3R,5S)-3,5-Dihydroxy-2-[(1E,3S)-3-Hydroxy-4-Phenyl-1-Buten-1-Yl]Cyclopentyl}-5-Heptenoic Acid
• Synonyms: 16-PHENYLTETRANORPROSTAGLANDINF2α
• Molecular Formula: C₂₂H₃₀O₅
• Molecular Weight: 374.47
• CAS Registry Number: 54324-29-7
• SMILES: C1[C@@H]([C@@H]([C@H]([C@@H]1O)/C=C/[C@H](CC2=CC=CC=C2)O)C/C=C\CCCC(=O)O)O
• InChI: 1S/C22H30O5/c23-17(14-16-8-4-3-5-9-16)12-13-19-18(20(24)15-21(19)25)10-6-1-2-7-11-22(26)27/h1,3-6,8-9,12-13,17-21,23-25H,2,7,10-11,14-15H2,(H,26,27)/b6-1-,13-12+/t17-,18-,19-,20+,21-/m1/s1
• InChIKey: AVUYLHQSIMTBCQ-SDMFVQJASA-N

Properties

• Density: 1.2±0.1g/cm³ (Cal.)
• Boiling point: 577.1±50.0°C at 760 mmHg (Cal.)
• Flash point: 316.9±26.6°C (Cal.)