15-Deoxy-16-Methyl-16-Hydroxy-3,4-Didehydroprostaglandin E2 Methyl Ester
[CAS# 81834-84-6]

Identification

• Name: 15-Deoxy-16-Methyl-16-Hydroxy-3,4-Didehydroprostaglandin E2 Methyl Ester
• Synonyms: Methyl (3E,5Z)-7-[(1R,2R,3R)-3-Hydroxy-2-[(E,4R)-4-Hydroxy-4-Methyl-Oct-1-Enyl]-5-Oxo-Cyclopentyl]Hepta-3,5-Dienoate; (3E,5Z)-7-[(1R,2R,3R)-3-Hydroxy-2-[(E,4R)-4-Hydroxy-4-Methyloct-1-Enyl]-5-Oxocyclopentyl]Hepta-3,5-Dienoic Acid Methyl Ester; (3E,5Z)-7-[(1R,2R,3R)-3-Hydroxy-2-[(E,4R)-4-Hydroxy-4-Methyl-Oct-1-Enyl]-5-Keto-Cyclopentyl]Hepta-3,5-Dienoic Acid Methyl Ester
• Molecular Formula: C₂₂H₃₄O₅
• Molecular Weight: 378.51
• CAS Registry Number: 81834-84-6
• SMILES: [C@H]1(C\C=C/C=C/CC(=O)OC)C(C[C@H]([C@@H]1\C=C\C[C@](CCCC)(C)O)O)=O
• InChI: 1S/C22H34O5/c1-4-5-14-22(2,26)15-10-12-18-17(19(23)16-20(18)24)11-8-6-7-9-13-21(25)27-3/h6-10,12,17-18,20,24,26H,4-5,11,13-16H2,1-3H3/b8-6-,9-7+,12-10+/t17-,18-,20-,22-/m1/s1
• InChIKey: CGJJJNSWKBYWIU-UXWGUYDPSA-N

Properties

• Density: 1.107g/cm³ (Cal.)
• Boiling point: 509.925°C at 760 mmHg (Cal.)
• Flash point: 167.355°C (Cal.)