16,16-Dimethyl Prostaglandin E2
[CAS# 39746-25-3]

Identification

• Name: 16,16-Dimethyl Prostaglandin E2
• Synonyms: (E)-7-[(1S,3S)-3-Hydroxy-2-[(E,3R)-3-Hydroxy-4,4-Dimethyl-Oct-1-Enyl]-5-Oxo-Cyclopentyl]Hept-5-Enoic Acid; (E)-7-[(1S,3S)-3-Hydroxy-2-[(E,3R)-3-Hydroxy-4,4-Dimethyl-Oct-1-Enyl]-5-Keto-Cyclopentyl]Hept-5-Enoic Acid; (5Z,11-Alpha,13E,15R)-11,15-Dihydroxy-16,16-Dimethyl-9-Oxoprosta-5,13-Dien-1-Oic Acid
• Molecular Formula: C₂₂H₃₆O₅
• Molecular Weight: 380.52
• CAS Registry Number: 39746-25-3
• SMILES: [C@@H]1(C([C@H](CC1=O)O)\C=C\[C@H](C(CCCC)(C)C)O)C\C=C\CCCC(O)=O
• 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/h6,8,12-13,16-17,19-20,24-25H,4-5,7,9-11,14-15H2,1-3H3,(H,26,27)/b8-6+,13-12+/t16-,17?,19-,20+/m0/s1
• InChIKey: QAOBBBBDJSWHMU-BKSAQPBESA-N

Properties

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