16,16-Dimethyl-delta2-Prostaglandin E1
[CAS# 64318-77-0]

Identification

• Name: 16,16-Dimethyl-delta2-Prostaglandin E1
• Synonyms: (E)-7-[(1R,2R,3R)-3-Hydroxy-2-[(E,3R)-3-Hydroxy-4,4-Dimethyl-Oct-1-Enyl]-5-Oxo-Cyclopentyl]Hept-2-Enoic Acid; (E)-7-[(1R,2R,3R)-3-Hydroxy-2-[(E,3R)-3-Hydroxy-4,4-Dimethyl-Oct-1-Enyl]-5-Keto-Cyclopentyl]Hept-2-Enoic Acid; 16,16-Dm-Pge1
• Molecular Formula: C₂₂H₃₆O₅
• Molecular Weight: 380.52
• CAS Registry Number: 64318-77-0
• SMILES: [C@H]1([C@H](C(=O)C[C@H]1O)CCCC\C=C\C(=O)O)\C=C\[C@@H](O)C(CCCC)(C)C
• InChI: 1S/C22H36O5/c1-4-5-14-22(2,3)20(25)13-12-17-16(18(23)15-19(17)24)10-8-6-7-9-11-21(26)27/h9,11-13,16-17,19-20,24-25H,4-8,10,14-15H2,1-3H3,(H,26,27)/b11-9+,13-12+/t16-,17-,19-,20-/m1/s1
• InChIKey: QKSCEMRWJSJFCT-MAHJIVSJSA-N

Properties

• Density: 1.119g/cm³ (Cal.)
• Boiling point: 545.919°C at 760 mmHg (Cal.)
• Flash point: 298.026°C (Cal.)