(1R-(1alpha,2beta(1E,3S*),3alpha))-6-((2-(3-Cyclohexyl-3-Hydroxy-1-Propenyl)-3-Hydroxy-5-Oxocyclopentyl)Thio)-Hexanoic Acid Methyl Ester
[CAS# 83009-96-5]

Identification

• Name: (1R-(1alpha,2beta(1E,3S*),3alpha))-6-((2-(3-Cyclohexyl-3-Hydroxy-1-Propenyl)-3-Hydroxy-5-Oxocyclopentyl)Thio)-Hexanoic Acid Methyl Ester
• Synonyms: Methyl 6-[(1R,2S,3R)-2-[(E)-3-Cyclohexyl-3-Hydroxy-Prop-1-Enyl]-3-Hydroxy-5-Oxo-Cyclopentyl]Sulfanylhexanoate; 6-[[(1R,2S,3R)-2-[(E)-3-Cyclohexyl-3-Hydroxyprop-1-Enyl]-3-Hydroxy-5-Oxocyclopentyl]Thio]Hexanoic Acid Methyl Ester; 6-[[(1R,2S,3R)-2-[(E)-3-Cyclohexyl-3-Hydroxy-Prop-1-Enyl]-3-Hydroxy-5-Keto-Cyclopentyl]Thio]Hexanoic Acid Methyl Ester
• Molecular Formula: C₂₁H₃₄O₅S
• Molecular Weight: 398.56
• CAS Registry Number: 83009-96-5
• SMILES: [C@@H]1(SCCCCCC(=O)OC)[C@H]([C@@H](CC1=O)O)\C=C\C(O)C2CCCCC2
• InChI: 1S/C21H34O5S/c1-26-20(25)10-6-3-7-13-27-21-16(18(23)14-19(21)24)11-12-17(22)15-8-4-2-5-9-15/h11-12,15-18,21-23H,2-10,13-14H2,1H3/b12-11+/t16-,17?,18+,21+/m0/s1
• InChIKey: QNKCYDKEIICCMC-RJOSLXAASA-N