16(S)-Methyl-20-methoxyprostaglandin E2
[CAS# 61218-31-3]

Identification

• Name: 16(S)-Methyl-20-methoxyprostaglandin E2
• Synonyms: (Z)-7-[(1R,2R,3R)-3-Hydroxy-2-[(E,3S,4S)-3-Hydroxy-8-Methoxy-4-Methyl-Oct-1-Enyl]-5-Oxo-Cyclopentyl]Hept-5-Enoic Acid; (Z)-7-[(1R,2R,3R)-3-Hydroxy-2-[(E,3S,4S)-3-Hydroxy-8-Methoxy-4-Methyl-Oct-1-Enyl]-5-Keto-Cyclopentyl]Hept-5-Enoic Acid; 16(S)-Methyl-20-Methoxy-Pge2
• Molecular Formula: C₂₂H₃₆O₆
• Molecular Weight: 396.52
• CAS Registry Number: 61218-31-3
• SMILES: [C@H]1(C\C=C/CCCC(=O)O)C(C[C@H]([C@@H]1\C=C\[C@H]([C@H](CCCCOC)C)O)O)=O
• InChI: 1S/C22H36O6/c1-16(9-7-8-14-28-2)19(23)13-12-18-17(20(24)15-21(18)25)10-5-3-4-6-11-22(26)27/h3,5,12-13,16-19,21,23,25H,4,6-11,14-15H2,1-2H3,(H,26,27)/b5-3-,13-12+/t16-,17+,18+,19+,21+/m0/s1
• InChIKey: KEJJEEMSWMJCHB-BDKFZLQASA-N

Properties

• Density: 1.144g/cm³ (Cal.)
• Boiling point: 575.436°C at 760 mmHg (Cal.)
• Flash point: 191.929°C (Cal.)