7-[(1R,2R,3R,5S)-3,5-Dihydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]cyclopentyl]-5-hydroxy-6-oxo-heptanoic acid
[CAS# 98093-82-4]

Identification

• Name: 7-[(1R,2R,3R,5S)-3,5-Dihydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]cyclopentyl]-5-hydroxy-6-oxo-heptanoic acid
• Synonyms: 7-[(1R,2R,3R,5S)-3,5-Dihydroxy-2-[(E,3S)-3-Hydroxyoct-1-Enyl]Cyclopentyl]-5-Hydroxy-6-Oxo-Heptanoic Acid; 7-[(1R,2R,3R,5S)-3,5-Dihydroxy-2-[(E,3S)-3-Hydroxyoct-1-Enyl]Cyclopentyl]-5-Hydroxy-6-Keto-Enanthic Acid; 5(6)Oxido-Pgi1
• Molecular Formula: C₂₀H₃₄O₇
• Molecular Weight: 386.48
• CAS Registry Number: 98093-82-4
• SMILES: [C@@H]1([C@@H]([C@H]([C@H](C1)O)CC(C(CCCC(O)=O)O)=O)\C=C\[C@@H](O)CCCCC)O
• InChI: 1S/C20H34O7/c1-2-3-4-6-13(21)9-10-14-15(18(24)12-17(14)23)11-19(25)16(22)7-5-8-20(26)27/h9-10,13-18,21-24H,2-8,11-12H2,1H3,(H,26,27)/b10-9+/t13-,14+,15+,16?,17+,18-/m0/s1
• InChIKey: FMBIBGQBZCBCST-YWDUQEOCSA-N

Properties

• Density: 1.252g/cm³ (Cal.)
• Boiling point: 607.703°C at 760 mmHg (Cal.)
• Flash point: 335.35°C (Cal.)