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(1R)-1-[(5R)-5-{[(1R,2S,5R)-2-isopropyl-5-methylcyclohexyl]oxy}-4-methyl-2-oxo-2,5-dihydrofuran-3-yl]-2-methylpropyl (2S)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoate

View entire compound with spectra: 1 MS (GC)

(1R)-1-[(5R)-5-{[(1R,2S,5R)-2-isopropyl-5-methylcyclohexyl]oxy}-4-methyl-2-oxo-2,5-dihydrofuran-3-yl]-2-methylpropyl (2S)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoate
SpectraBase Compound ID 9ZqUpEqW5CN
InChI InChI=1S/C29H39F3O6/c1-16(2)21-14-13-18(5)15-22(21)36-26-19(6)23(25(33)38-26)24(17(3)4)37-27(34)28(35-7,29(30,31)32)20-11-9-8-10-12-20/h8-12,16-18,21-22,24,26H,13-15H2,1-7H3/t18-,21+,22-,24-,26-,28+/m1/s1
InChIKey MCEOVIYZSVTIPS-NHXGYWDVSA-N
Mol Weight 540.6 g/mol
Molecular Formula C29H39F3O6
Exact Mass 540.269873 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5kcwZgFolmz
Name (1R)-1-[(5R)-5-{[(1R,2S,5R)-2-isopropyl-5-methylcyclohexyl]oxy}-4-methyl-2-oxo-2,5-dihydrofuran-3-yl]-2-methylpropyl (2S)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C29H39F3O6
InChI InChI=1S/C29H39F3O6/c1-16(2)21-14-13-18(5)15-22(21)36-26-19(6)23(25(33)38-26)24(17(3)4)37-27(34)28(35-7,29(30,31)32)20-11-9-8-10-12-20/h8-12,16-18,21-22,24,26H,13-15H2,1-7H3/t18-,21+,22-,24-,26-,28+/m1/s1
InChIKey MCEOVIYZSVTIPS-NHXGYWDVSA-N
Molecular Weight 540.620 g/mol
SMILES C=1(C(O[C@](C1C)(O[C@]1([C@@](CC[C@](C1)(C)[H])(C(C)C)[H])[H])[H])=O)[C@](OC([C@](C(F)(F)F)(c1ccccc1)OC)=O)(C(C)C)[H]
SPLASH splash10-000i-4900000000-a4f5064dd224797c246a
Source of Spectrum F-59-3249-27a
Wiley ID 1677963