(5Z)-7-{(1R,2R,3R)-3-Hydroxy-2-[(3S)-3-Hydroxy-4-Phenyl-1-Buten-1-Yl]-5-Oxocyclopentyl}-5-Heptenoic Acid
[CAS# 38315-44-5]

Identification

• Name: (5Z)-7-{(1R,2R,3R)-3-Hydroxy-2-[(3S)-3-Hydroxy-4-Phenyl-1-Buten-1-Yl]-5-Oxocyclopentyl}-5-Heptenoic Acid
• Synonyms: " 9-oxo-11α,15S-dihydroxy-16-phenyl-17,18,19,20-tetranor-prosta-5Z,13E-dien-1-oic acid" ; 16-phenyl tetranor Prostaglandin E2; 9-oxo-11α,15S-dihydroxy-16-phenyl-17,18,19,20-tetranor-prosta-5Z,13E-dien-1-oic acid
• Molecular Formula: C₂₂H₂₈O₅
• Molecular Weight: 372.45
• CAS Registry Number: 38315-44-5
• SMILES: C1[C@H]([C@@H]([C@H](C1=O)C/C=C\CCCC(=O)O)C=C[C@H](CC2=CC=CC=C2)O)O
• InChI: 1S/C22H28O5/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/h1,3-6,8-9,12-13,17-19,21,23,25H,2,7,10-11,14-15H2,(H,26,27)/b6-1-,13-12?/t17-,18-,19-,21-/m1/s1
• InChIKey: DXWJXQSQVUJRNS-VLMWRNONSA-N

Properties

• Density: 1.2±0.1g/cm³ (Cal.)
• Boiling point: 576.8±50.0°C at 760 mmHg (Cal.)
• Flash point: 316.7±26.6°C (Cal.)