Methyl 6-[(1R,2S,3R)-2-[(E)-5-Cyclohexyl-3-Hydroxypent-1-Enyl]-3-Hydroxy-5-Oxocyclopentyl]Sulfanylhexanoate
[CAS# 111037-12-8]

Identification

• Name: Methyl 6-[(1R,2S,3R)-2-[(E)-5-Cyclohexyl-3-Hydroxypent-1-Enyl]-3-Hydroxy-5-Oxocyclopentyl]Sulfanylhexanoate
• Synonyms: Methyl 6-[(1R,2S,3R)-2-[(E)-5-Cyclohexyl-3-Hydroxy-Pent-1-Enyl]-3-Hydroxy-5-Oxo-Cyclopentyl]Sulfanylhexanoate; 6-[[(1R,2S,3R)-2-[(E)-5-Cyclohexyl-3-Hydroxypent-1-Enyl]-3-Hydroxy-5-Oxocyclopentyl]Thio]Hexanoic Acid Methyl Ester; 6-[[(1R,2S,3R)-2-[(E)-5-Cyclohexyl-3-Hydroxy-Pent-1-Enyl]-3-Hydroxy-5-Keto-Cyclopentyl]Thio]Hexanoic Acid Methyl Ester
• Molecular Formula: C₂₃H₃₈O₅S
• Molecular Weight: 426.61
• CAS Registry Number: 111037-12-8
• SMILES: [C@@H]1(SCCCCCC(=O)OC)[C@H]([C@@H](CC1=O)O)\C=C\C(CCC2CCCCC2)O
• InChI: 1S/C23H38O5S/c1-28-22(27)10-6-3-7-15-29-23-19(20(25)16-21(23)26)14-13-18(24)12-11-17-8-4-2-5-9-17/h13-14,17-20,23-25H,2-12,15-16H2,1H3/b14-13+/t18?,19-,20+,23+/m0/s1
• InChIKey: HOMQOIVYFSPUGZ-YHPDFFPYSA-N

Properties

• Density: 1.143g/cm³ (Cal.)
• Boiling point: 563.432°C at 760 mmHg (Cal.)
• Flash point: 294.553°C (Cal.)