16,16-Dimethylprostaglandin A2 Methyl Ester
[CAS# 61956-81-8]

Identification

• Name: 16,16-Dimethylprostaglandin A2 Methyl Ester
• Synonyms: Methyl (Z)-7-[(1R,2S)-2-[(E,3R)-3-Hydroxy-4,4-Dimethyl-Oct-1-Enyl]-5-Oxo-1-Cyclopent-3-Enyl]Hept-5-Enoate; (Z)-7-[(1R,2S)-2-[(E,3R)-3-Hydroxy-4,4-Dimethyloct-1-Enyl]-5-Oxo-1-Cyclopent-3-Enyl]Hept-5-Enoic Acid Methyl Ester; (Z)-7-[(1R,2S)-2-[(E,3R)-3-Hydroxy-4,4-Dimethyl-Oct-1-Enyl]-5-Keto-1-Cyclopent-3-Enyl]Hept-5-Enoic Acid Methyl Ester
• Molecular Formula: C₂₃H₃₆O₄
• Molecular Weight: 376.54
• CAS Registry Number: 61956-81-8
• SMILES: [C@H]1([C@H](C=CC1=O)\C=C\[C@@H](O)C(CCCC)(C)C)C\C=C/CCCC(OC)=O
• InChI: 1S/C23H36O4/c1-5-6-17-23(2,3)21(25)16-14-18-13-15-20(24)19(18)11-9-7-8-10-12-22(26)27-4/h7,9,13-16,18-19,21,25H,5-6,8,10-12,17H2,1-4H3/b9-7-,16-14+/t18-,19-,21-/m1/s1
• InChIKey: KQCVXJWHXUJYAE-NONPEJBBSA-N

Properties

• Density: 1.041g/cm³ (Cal.)
• Boiling point: 492.926°C at 760 mmHg (Cal.)
• Flash point: 158.583°C (Cal.)