Prostaglandin I3
[CAS# 68794-57-0]

Identification

• Name: Prostaglandin I3
• Synonyms: (5Z)-5-[(3Ar,4R,5R,6As)-5-Hydroxy-4-[(1E,3S,5Z)-3-Hydroxyocta-1,5-Dienyl]-3,3A,4,5,6,6A-Hexahydrocyclopenta[D]Furan-2-Ylidene]Valeric Acid; Prostaglandin I3; Pgi3
• Molecular Formula: C₂₀H₃₀O₅
• Molecular Weight: 350.45
• CAS Registry Number: 68794-57-0
• SMILES: [C@@H]12[C@@H](OC(/C1)=C\CCCC(=O)O)C[C@@H](O)[C@@H]2\C=C\[C@@H](O)C\C=C/CC
• InChI: 1S/C20H30O5/c1-2-3-4-7-14(21)10-11-16-17-12-15(8-5-6-9-20(23)24)25-19(17)13-18(16)22/h3-4,8,10-11,14,16-19,21-22H,2,5-7,9,12-13H2,1H3,(H,23,24)/b4-3-,11-10+,15-8-/t14-,16+,17+,18+,19-/m0/s1
• InChIKey: NCYSTSFUYSFMEO-OBLTVXDOSA-N

Properties

• Density: 1.242g/cm³ (Cal.)
• Boiling point: 541.58°C at 760 mmHg (Cal.)
• Flash point: 187.704°C (Cal.)