2-[2-[(3aS,5R,6R,6aS)-5-Hydroxy-6-[(E,3S)-3-Hydroxyoct-1-Enyl]-1,3A,4,5,6,6alpha-Hexahydropentalen-2-Yl]Ethoxy]Acetic Acid
[CAS# 106402-09-9]

Identification

• Name: 2-[2-[(3aS,5R,6R,6aS)-5-Hydroxy-6-[(E,3S)-3-Hydroxyoct-1-Enyl]-1,3A,4,5,6,6alpha-Hexahydropentalen-2-Yl]Ethoxy]Acetic Acid
• Synonyms: 2-[2-[(3As,5R,6R,6As)-5-Hydroxy-6-[(E,3S)-3-Hydroxyoct-1-Enyl]-1,3A,4,5,6,6A-Hexahydropentalen-2-Yl]Ethoxy]Ethanoic Acid; 3-Oxa-9(O)-Methano-Delta(6(9Alpha))-Prostaglandin I1; 3-Oxa-9(O)-Methano-Delta(6,9)Prostaglandin I(1)
• Molecular Formula: C₂₀H₃₂O₅
• Molecular Weight: 352.47
• CAS Registry Number: 106402-09-9
• SMILES: [C@H]12[C@H](C[C@@H](O)[C@@H]1\C=C\[C@@H](O)CCCCC)C=C(C2)CCOCC(=O)O
• InChI: 1S/C20H32O5/c1-2-3-4-5-16(21)6-7-17-18-11-14(8-9-25-13-20(23)24)10-15(18)12-19(17)22/h6-7,10,15-19,21-22H,2-5,8-9,11-13H2,1H3,(H,23,24)/b7-6+/t15-,16-,17+,18-,19+/m0/s1
• InChIKey: OXEROCNJZXXLDX-BJNWZJAMSA-N

Properties

• Density: 1.178g/cm³ (Cal.)
• Boiling point: 525.847°C at 760 mmHg (Cal.)
• Flash point: 180.339°C (Cal.)