7-[2-[2-[4-[(E)-4,4-Dimethyl-3-Oxooct-1-Enyl]-3-(7-Hydroxy-7-Oxoheptyl)-2-Oxo-1-Cyclopent-3-Enyl]-4,4-Dimethyl-3-Oxooctyl]-5-Oxo-1-Cyclopentenyl]Heptanoic Acid
[CAS# 135608-06-9]

Identification

• Name: 7-[2-[2-[4-[(E)-4,4-Dimethyl-3-Oxooct-1-Enyl]-3-(7-Hydroxy-7-Oxoheptyl)-2-Oxo-1-Cyclopent-3-Enyl]-4,4-Dimethyl-3-Oxooctyl]-5-Oxo-1-Cyclopentenyl]Heptanoic Acid
• Synonyms: 7-[2-[2-[4-[(E)-4,4-Dimethyl-3-Oxo-Oct-1-Enyl]-3-(7-Hydroxy-7-Oxo-Heptyl)-2-Oxo-1-Cyclopent-3-Enyl]-4,4-Dimethyl-3-Oxo-Octyl]-5-Oxo-1-Cyclopentenyl]Heptanoic Acid; 7-[2-[2-[3-(7-Hydroxy-7-Keto-Heptyl)-2-Keto-4-[(E)-3-Keto-4,4-Dimethyl-Oct-1-Enyl]-1-Cyclopent-3-Enyl]-3-Keto-4,4-Dimethyl-Octyl]-5-Keto-1-Cyclopentenyl]Enanthic Acid; 16,16'-Dimethyl Prostaglandin B1 Dimer
• Molecular Formula: C₄₄H₆₈O₈
• Molecular Weight: 725.02
• CAS Registry Number: 135608-06-9
• SMILES: C(C(C1C(=O)C(=C(C1)\C=C\C(=O)C(CCCC)(C)C)CCCCCCC(=O)O)C(=O)C(CCCC)(C)C)C2=C(C(=O)CC2)CCCCCCC(=O)O
• InChI: 1S/C44H68O8/c1-7-9-27-43(3,4)38(46)26-24-32-29-35(41(51)34(32)20-16-12-14-18-22-40(49)50)36(42(52)44(5,6)28-10-8-2)30-31-23-25-37(45)33(31)19-15-11-13-17-21-39(47)48/h24,26,35-36H,7-23,25,27-30H2,1-6H3,(H,47,48)(H,49,50)/b26-24+
• InChIKey: BJCPXBBUCVFUCJ-SHHOIMCASA-N

Properties

• Density: 1.086g/cm³ (Cal.)
• Boiling point: 853.113°C at 760 mmHg (Cal.)
• Flash point: 483.605°C (Cal.)