7-[(1R,2S,3R,5S)-3,5-Dihydroxy-2-[(1E,3S,5Z)-3-Hydroxyocta-1,5-Dienyl] Cyclopentyl]-6-Oxo-Heptanoic Acid
[CAS# 68324-95-8]

Identification

• Name: 7-[(1R,2S,3R,5S)-3,5-Dihydroxy-2-[(1E,3S,5Z)-3-Hydroxyocta-1,5-Dienyl] Cyclopentyl]-6-Oxo-Heptanoic Acid
• Synonyms: 7-[(1R,2R,3R,5S)-3,5-Dihydroxy-2-[(1E,3S,5Z)-3-Hydroxyocta-1,5-Dienyl]Cyclopentyl]-6-Oxo-Heptanoic Acid; 7-[(1R,2R,3R,5S)-3,5-Dihydroxy-2-[(1E,3S,5Z)-3-Hydroxyocta-1,5-Dienyl]Cyclopentyl]-6-Keto-Enanthic Acid; Delta(17)-6-Ketoprostaglandin F1alpha
• Molecular Formula: C₂₀H₃₂O₆
• Molecular Weight: 368.47
• CAS Registry Number: 68324-95-8
• SMILES: [C@H]1([C@H]([C@H](O)C[C@@H]1O)\C=C\[C@@H](O)C\C=C/CC)CC(=O)CCCCC(=O)O
• InChI: 1S/C20H32O6/c1-2-3-4-7-14(21)10-11-16-17(19(24)13-18(16)23)12-15(22)8-5-6-9-20(25)26/h3-4,10-11,14,16-19,21,23-24H,2,5-9,12-13H2,1H3,(H,25,26)/b4-3-,11-10+/t14-,16+,17+,18+,19-/m0/s1
• InChIKey: HFKNJQYMAGMXTR-CAPHXMBKSA-N

Properties

• Density: 1.21g/cm³ (Cal.)
• Boiling point: 587.067°C at 760 mmHg (Cal.)
• Flash point: 322.884°C (Cal.)