Methyl (E)-7-[(1R,2R,3R)-2-[(1E,5E)-6-(1-Cyclopentenyl)-4-Hydroxy-4-Methylhexa-1,5-Dienyl]-3-Hydroxy-5-Oxocyclopentyl]Hept-4-Enoate
[CAS# 110845-89-1]

Identification

• Name: Methyl (E)-7-[(1R,2R,3R)-2-[(1E,5E)-6-(1-Cyclopentenyl)-4-Hydroxy-4-Methylhexa-1,5-Dienyl]-3-Hydroxy-5-Oxocyclopentyl]Hept-4-Enoate
• Synonyms: Methyl (E)-7-[(1R,2R,3R)-2-[(1E,5E)-6-(1-Cyclopentenyl)-4-Hydroxy-4-Methyl-Hexa-1,5-Dienyl]-3-Hydroxy-5-Oxo-Cyclopentyl]Hept-4-Enoate; (E)-7-[(1R,2R,3R)-2-[(1E,5E)-6-(1-Cyclopentenyl)-4-Hydroxy-4-Methylhexa-1,5-Dienyl]-3-Hydroxy-5-Oxocyclopentyl]Hept-4-Enoic Acid Methyl Ester; (E)-7-[(1R,2R,3R)-2-[(1E,5E)-6-(1-Cyclopentenyl)-4-Hydroxy-4-Methyl-Hexa-1,5-Dienyl]-3-Hydroxy-5-Keto-Cyclopentyl]Hept-4-Enoic Acid Methyl Ester
• Molecular Formula: C₂₅H₃₆O₅
• Molecular Weight: 416.56
• CAS Registry Number: 110845-89-1
• SMILES: [C@H]1([C@H](C(=O)C[C@H]1O)CC\C=C\CCC(OC)=O)\C=C\CC(O)(\C=C\C2=CCCC2)C
• InChI: 1S/C25H36O5/c1-25(29,17-15-19-10-7-8-11-19)16-9-13-21-20(22(26)18-23(21)27)12-5-3-4-6-14-24(28)30-2/h3-4,9-10,13,15,17,20-21,23,27,29H,5-8,11-12,14,16,18H2,1-2H3/b4-3+,13-9+,17-15+/t20-,21-,23-,25?/m1/s1
• InChIKey: ZZVPHCPLTZTOBC-BZXXIRPUSA-N

Properties

• Density: 1.179g/cm³ (Cal.)
• Boiling point: 552.19°C at 760 mmHg (Cal.)
• Flash point: 179.215°C (Cal.)