Methyl (E)-4-Fluoro-7-[(1R,2R,3R)-3-Hydroxy-2-[(E,4S)-4-Hydroxy-4-Methyloct-1-Enyl]-5-Oxocyclopentyl]Hept-4-Enoate
[CAS# 109976-45-6]

Identification

• Name: Methyl (E)-4-Fluoro-7-[(1R,2R,3R)-3-Hydroxy-2-[(E,4S)-4-Hydroxy-4-Methyloct-1-Enyl]-5-Oxocyclopentyl]Hept-4-Enoate
• Synonyms: Methyl (E)-4-Fluoro-7-[(1R,2R,3R)-3-Hydroxy-2-[(E,4S)-4-Hydroxy-4-Methyl-Oct-1-Enyl]-5-Oxo-Cyclopentyl]Hept-4-Enoate; (E)-4-Fluoro-7-[(1R,2R,3R)-3-Hydroxy-2-[(E,4S)-4-Hydroxy-4-Methyloct-1-Enyl]-5-Oxocyclopentyl]Hept-4-Enoic Acid Methyl Ester; (E)-4-Fluoro-7-[(1R,2R,3R)-3-Hydroxy-2-[(E,4S)-4-Hydroxy-4-Methyl-Oct-1-Enyl]-5-Keto-Cyclopentyl]Hept-4-Enoic Acid Methyl Ester
• Molecular Formula: C₂₂H₃₅FO₅
• Molecular Weight: 398.51
• CAS Registry Number: 109976-45-6
• SMILES: [C@H]1([C@H](C(=O)C[C@H]1O)CC\C=C(F)/CCC(OC)=O)\C=C\C[C@@](O)(CCCC)C
• InChI: 1S/C22H35FO5/c1-4-5-13-22(2,27)14-7-10-18-17(19(24)15-20(18)25)9-6-8-16(23)11-12-21(26)28-3/h7-8,10,17-18,20,25,27H,4-6,9,11-15H2,1-3H3/b10-7+,16-8+/t17-,18-,20-,22+/m1/s1
• InChIKey: JSPJXWJMYDOTQN-QUZLMLTJSA-N

Properties

• Density: 1.127g/cm³ (Cal.)
• Boiling point: 496.574°C at 760 mmHg (Cal.)
• Flash point: 254.119°C (Cal.)