(5Z)-5-[(3aR,4R,5R,6aS)-5-Hydroxy-4-[(E,3S)-3-Hydroxyoct-1-Enyl]-3-Oxo-4,5,6,6a-Tetrahydro-3aH-Cyclopenta[d]Furan-2-Ylidene]Pentanoic Acid
[CAS# 79821-50-4]

Identification

• Name: (5Z)-5-[(3aR,4R,5R,6aS)-5-Hydroxy-4-[(E,3S)-3-Hydroxyoct-1-Enyl]-3-Oxo-4,5,6,6a-Tetrahydro-3aH-Cyclopenta[d]Furan-2-Ylidene]Pentanoic Acid
• Synonyms: (5Z)-5-[(3Ar,4R,5R,6As)-5-Hydroxy-4-[(E,3S)-3-Hydroxyoct-1-Enyl]-3-Keto-4,5,6,6A-Tetrahydro-3Ah-Cyclopenta[D]Furan-2-Ylidene]Valeric Acid; 7-Oxo-Pgi2-Na; 7-Oxoprostacyclin
• Molecular Formula: C₂₀H₃₀O₆
• Molecular Weight: 366.45
• CAS Registry Number: 79821-50-4
• SMILES: [C@@H]12[C@@H](OC(/C1=O)=C\CCCC(=O)O)C[C@@H](O)[C@@H]2\C=C\[C@@H](O)CCCCC
• InChI: 1S/C20H30O6/c1-2-3-4-7-13(21)10-11-14-15(22)12-17-19(14)20(25)16(26-17)8-5-6-9-18(23)24/h8,10-11,13-15,17,19,21-22H,2-7,9,12H2,1H3,(H,23,24)/b11-10+,16-8-/t13-,14-,15+,17-,19+/m0/s1
• InChIKey: ZHIHHYNLWRXTTN-GJUFTPBXSA-N

Properties

• Density: 1.285g/cm³ (Cal.)
• Boiling point: 573.561°C at 760 mmHg (Cal.)
• Flash point: 199.323°C (Cal.)