7-{(1R,4S,5S,6R)-6-[(1E,3S)-3-Hydroxy-1-Octen-1-Yl]-2,3-Dioxabicyclo[2.2.1]Hept-5-Yl}Heptanoic Acid
[CAS# 52589-22-7]

Identification

• Name: 7-{(1R,4S,5S,6R)-6-[(1E,3S)-3-Hydroxy-1-Octen-1-Yl]-2,3-Dioxabicyclo[2.2.1]Hept-5-Yl}Heptanoic Acid
• Synonyms: " 9α,11α-epidioxy-15S-hydroxy-prost-13E-en-1-oic acid"
• Molecular Formula: C₂₀H₃₄O₅
• Molecular Weight: 354.48
• CAS Registry Number: 52589-22-7
• SMILES: CCCCC[C@@H](/C=C/[C@H]1[C@H]2C[C@@H]([C@H]1CCCCCCC(=O)O)OO2)O
• InChI: 1S/C20H34O5/c1-2-3-6-9-15(21)12-13-17-16(18-14-19(17)25-24-18)10-7-4-5-8-11-20(22)23/h12-13,15-19,21H,2-11,14H2,1H3,(H,22,23)/b13-12+/t15-,16-,17+,18-,19+/m0/s1
• InChIKey: NTAYABHEVAQSJS-PUCCXBQTSA-N

Properties

• Density: 1.1±0.1g/cm³ (Cal.)
• Boiling point: 486.2±38.0°C at 760 mmHg (Cal.)
• Flash point: 162.9±20.3°C (Cal.)