(9alpha,11alpha,13E,15S)-9,11,15-Trihydroxyprost-13-en-1-oic acid
[CAS# 745-62-0]

Identification

• Name: (9alpha,11alpha,13E,15S)-9,11,15-Trihydroxyprost-13-en-1-oic acid
• Synonyms: 7-[(1R,2R,3R,5S)-3,5-Dihydroxy-2-[(E,3S)-3-Hydroxyoct-1-Enyl]Cyclopentyl]Heptanoic Acid; 7-[(1R,2R,3R,5S)-3,5-Dihydroxy-2-[(E,3S)-3-Hydroxyoct-1-Enyl]Cyclopentyl]Enanthic Acid; 7-[(1R,2R,3R,5S)-3,5-Dihydroxy-2-[(3S)-3-Hydroxyoct-1-Enyl]Cyclopentyl]Enanthic Acid
• Molecular Formula: C₂₀H₃₆O₅
• Molecular Weight: 356.50
• CAS Registry Number: 745-62-0
• SMILES: [C@H]1([C@H]([C@H](O)C[C@@H]1O)\C=C\[C@H](CCCCC)O)CCCCCCC(O)=O
• InChI: 1S/C20H36O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h12-13,15-19,21-23H,2-11,14H2,1H3,(H,24,25)/b13-12+/t15-,16+,17+,18-,19+/m0/s1
• InChIKey: DZUXGQBLFALXCR-CDIPTNKSSA-N

Properties

• Density: 1.136g/cm³ (Cal.)
• Boiling point: 526.55°C at 760 mmHg (Cal.)
• Flash point: 286.325°C (Cal.)