5-[(3aS,5R,6R,6aS)-5-Hydroxy-6-[(E,3S)-3-Hydroxyoct-1-Enyl]-1,3a,4,5,6,6a-Hexahydropentalen-2-Yl]Hex-5-Enoic Acid
[CAS# 109838-17-7]

Identification

• Name: 5-[(3aS,5R,6R,6aS)-5-Hydroxy-6-[(E,3S)-3-Hydroxyoct-1-Enyl]-1,3a,4,5,6,6a-Hexahydropentalen-2-Yl]Hex-5-Enoic Acid
• Synonyms: 2-Pentalenepentanoic Acid, 1,3A,4,5,6,6A-Hexahydro-5-Hydroxy-6-(3-Hydroxy-1-Octenyl)-Delta-Methylene-, (3As-(3Aalpha,5Beta,6Alpha(1E*,3R*),6Aalpha))-; 5-Mm-Pgi; 5-Methylene-9(0)-Methano-Delta(6)-Prostaglandin I(1)
• Molecular Formula: C₂₂H₃₄O₄
• Molecular Weight: 362.51
• CAS Registry Number: 109838-17-7
• SMILES: [C@@H]12C=C(C[C@@H]1[C@H]([C@@H](C2)O)\C=C\[C@H](CCCCC)O)C(CCCC(=O)O)=C
• InChI: 1S/C22H34O4/c1-3-4-5-8-18(23)10-11-19-20-13-16(12-17(20)14-21(19)24)15(2)7-6-9-22(25)26/h10-12,17-21,23-24H,2-9,13-14H2,1H3,(H,25,26)/b11-10+/t17-,18-,19+,20-,21+/m0/s1
• InChIKey: RCWYUXZFANPADR-UNWKAXEJSA-N

Properties

• Density: 1.143g/cm³ (Cal.)
• Boiling point: 534.698°C at 760 mmHg (Cal.)
• Flash point: 291.247°C (Cal.)