Methyl (Z)-7-[(1R,2R,3R)-3-(2-Hydroxyethylsulfanyl)-2-[(E,3S)-3-Hydroxyoct-1-Enyl]-5-Oxocyclopentyl]Hept-5-Enoate
[CAS# 74412-44-5]

Identification

• Name: Methyl (Z)-7-[(1R,2R,3R)-3-(2-Hydroxyethylsulfanyl)-2-[(E,3S)-3-Hydroxyoct-1-Enyl]-5-Oxocyclopentyl]Hept-5-Enoate
• Synonyms: Methyl (Z)-7-[(1R,2R,3R)-3-(2-Hydroxyethylsulfanyl)-2-[(E,3S)-3-Hydroxyoct-1-Enyl]-5-Oxo-Cyclopentyl]Hept-5-Enoate; (Z)-7-[(1R,2R,3R)-3-(2-Hydroxyethylthio)-2-[(E,3S)-3-Hydroxyoct-1-Enyl]-5-Oxocyclopentyl]Hept-5-Enoic Acid Methyl Ester; (Z)-7-[(1R,2R,3R)-3-(2-Hydroxyethylthio)-2-[(E,3S)-3-Hydroxyoct-1-Enyl]-5-Keto-Cyclopentyl]Hept-5-Enoic Acid Methyl Ester
• Molecular Formula: C₂₃H₃₈O₅S
• Molecular Weight: 426.61
• CAS Registry Number: 74412-44-5
• SMILES: [C@H]1([C@H](C(=O)C[C@H]1SCCO)C\C=C/CCCC(OC)=O)\C=C\[C@@H](O)CCCCC
• InChI: 1S/C23H38O5S/c1-3-4-7-10-18(25)13-14-20-19(21(26)17-22(20)29-16-15-24)11-8-5-6-9-12-23(27)28-2/h5,8,13-14,18-20,22,24-25H,3-4,6-7,9-12,15-17H2,1-2H3/b8-5-,14-13+/t18-,19+,20+,22+/m0/s1
• InChIKey: MVJLKROLFXCBIB-IEYOOLRKSA-N

Properties

• Density: 1.109g/cm³ (Cal.)
• Boiling point: 576.488°C at 760 mmHg (Cal.)
• Flash point: 302.449°C (Cal.)