(5Z)-5-[(3aR,4R,5R,6aR)-4-[(E,3S)-3-Hydroxyoct-1-Enyl]-5-Methoxy-3,3a,4,5,6,6a-Hexahydrocyclopenta[d]Furan-2-Ylidene]Pentanoic Acid
[CAS# 79743-30-9]

Identification

• Name: (5Z)-5-[(3aR,4R,5R,6aR)-4-[(E,3S)-3-Hydroxyoct-1-Enyl]-5-Methoxy-3,3a,4,5,6,6a-Hexahydrocyclopenta[d]Furan-2-Ylidene]Pentanoic Acid
• Synonyms: (5Z)-5-[(3Ar,4R,5R,6Ar)-4-[(E,3S)-3-Hydroxyoct-1-Enyl]-5-Methoxy-3,3A,4,5,6,6A-Hexahydrocyclopenta[D]Furan-2-Ylidene]Valeric Acid; Prostaglandin I2 11-Methyl Ether; 11-Methoxyprostaglandin I2
• Molecular Formula: C₂₁H₃₄O₅
• Molecular Weight: 366.50
• CAS Registry Number: 79743-30-9
• SMILES: [C@@H]12[C@H](OC(/C1)=C\CCCC(=O)O)C[C@@H](OC)[C@@H]2\C=C\[C@@H](O)CCCCC
• InChI: 1S/C21H34O5/c1-3-4-5-8-15(22)11-12-17-18-13-16(9-6-7-10-21(23)24)26-20(18)14-19(17)25-2/h9,11-12,15,17-20,22H,3-8,10,13-14H2,1-2H3,(H,23,24)/b12-11+,16-9-/t15-,17+,18+,19+,20+/m0/s1
• InChIKey: KBVHVDCYPLTTMC-XSCLSFBDSA-N

Properties

• Density: 1.112g/cm³ (Cal.)
• Boiling point: 529.271°C at 760 mmHg (Cal.)
• Flash point: 178.738°C (Cal.)