17,17-Dimethylprostaglandin E2
[CAS# 80003-50-5]

Identification

• Name: 17,17-Dimethylprostaglandin E2
• Synonyms: (Z)-7-[(1R,2R,3R)-3-Hydroxy-2-[(E,3S)-3-Hydroxy-5,5-Dimethyl-Oct-1-Enyl]-5-Oxo-Cyclopentyl]Hept-5-Enoic Acid; (Z)-7-[(1R,2R,3R)-3-Hydroxy-2-[(E,3S)-3-Hydroxy-5,5-Dimethyl-Oct-1-Enyl]-5-Keto-Cyclopentyl]Hept-5-Enoic Acid; 17,17-Dimethylprostaglandin E2
• Molecular Formula: C₂₂H₃₆O₅
• Molecular Weight: 380.52
• CAS Registry Number: 80003-50-5
• SMILES: [C@H]1(C\C=C/CCCC(=O)O)C(C[C@H]([C@@H]1\C=C\[C@H](CC(CCC)(C)C)O)O)=O
• InChI: 1S/C22H36O5/c1-4-13-22(2,3)15-16(23)11-12-18-17(19(24)14-20(18)25)9-7-5-6-8-10-21(26)27/h5,7,11-12,16-18,20,23,25H,4,6,8-10,13-15H2,1-3H3,(H,26,27)/b7-5-,12-11+/t16-,17-,18-,20-/m1/s1
• InChIKey: JQICXPHYGHAQCO-SWKZIXBFSA-N

Properties

• Density: 1.119g/cm³ (Cal.)
• Boiling point: 541.271°C at 760 mmHg (Cal.)
• Flash point: 295.218°C (Cal.)