3-[(1R,2R,3R)-3-Hydroxy-2-[(1E,5Z)-3-Hydroxyocta-1,5-Dienyl]-5-Oxocyclopentyl]Propanoic Acid
[CAS# 105450-12-2]

Identification

• Name: 3-[(1R,2R,3R)-3-Hydroxy-2-[(1E,5Z)-3-Hydroxyocta-1,5-Dienyl]-5-Oxocyclopentyl]Propanoic Acid
• Synonyms: 3-[(1R,2R,3R)-3-Hydroxy-2-[(1E,5Z)-3-Hydroxyocta-1,5-Dienyl]-5-Oxo-Cyclopentyl]Propanoic Acid; 3-[(1R,2R,3R)-3-Hydroxy-2-[(1E,5Z)-3-Hydroxyocta-1,5-Dienyl]-5-Keto-Cyclopentyl]Propionic Acid; 7,11-Dhkpa
• Molecular Formula: C₁₆H₂₄O₅
• Molecular Weight: 296.36
• CAS Registry Number: 105450-12-2
• SMILES: [C@H]1([C@H](C(=O)C[C@H]1O)CCC(=O)O)\C=C\C(O)C\C=C/CC
• InChI: 1S/C16H24O5/c1-2-3-4-5-11(17)6-7-12-13(8-9-16(20)21)15(19)10-14(12)18/h3-4,6-7,11-14,17-18H,2,5,8-10H2,1H3,(H,20,21)/b4-3-,7-6+/t11?,12-,13-,14-/m1/s1
• InChIKey: JRYMJBMHPBGQQB-FZFLTDLBSA-N

Properties

• Density: 1.231g/cm³ (Cal.)
• Boiling point: 501.72°C at 760 mmHg (Cal.)
• Flash point: 271.324°C (Cal.)