11-Deoxyprostaglandin E1 4-Hydroxyphenyl Ester
[CAS# 114495-95-3]

Identification

• Name: 11-Deoxyprostaglandin E1 4-Hydroxyphenyl Ester
• Synonyms: (4-Hydroxyphenyl) 7-[(1R,2R)-2-[(E,3S)-3-Hydroxyoct-1-Enyl]-5-Oxo-Cyclopentyl]Heptanoate; 7-[(1R,2R)-2-[(E,3S)-3-Hydroxyoct-1-Enyl]-5-Oxocyclopentyl]Heptanoic Acid (4-Hydroxyphenyl) Ester; 7-[(1R,2R)-2-[(E,3S)-3-Hydroxyoct-1-Enyl]-5-Keto-Cyclopentyl]Enanthic Acid (4-Hydroxyphenyl) Ester
• Molecular Formula: C₂₆H₃₈O₅
• Molecular Weight: 430.58
• CAS Registry Number: 114495-95-3
• SMILES: [C@H]2(CCCCCCC(=O)OC1=CC=C(C=C1)O)C(CC[C@@H]2\C=C\[C@H](CCCCC)O)=O
• InChI: 1S/C26H38O5/c1-2-3-6-9-21(27)14-12-20-13-19-25(29)24(20)10-7-4-5-8-11-26(30)31-23-17-15-22(28)16-18-23/h12,14-18,20-21,24,27-28H,2-11,13,19H2,1H3/b14-12+/t20-,21-,24+/m0/s1
• InChIKey: CABYOFUKVRIDJY-VJHXMIFPSA-N

Properties

• Density: 1.117g/cm³ (Cal.)
• Boiling point: 590.027°C at 760 mmHg (Cal.)
• Flash point: 191.592°C (Cal.)