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

View entire compound with spectra: 1 NMR, and 1 MS (GC)

(1R,2S)-1-[(5R)-5-{[(1R,2S,5R)-2-isopropyl-5-methylcyclohexyl]oxy}-4-methyl-2-oxo-2,5-dihydrofuran-3-yl]-2-methylbutyl (2S)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoate
SpectraBase Compound ID BzjkgLHzLhL
InChI InChI=1S/C30H41F3O6/c1-8-19(5)25(38-28(35)29(36-7,30(31,32)33)21-12-10-9-11-13-21)24-20(6)27(39-26(24)34)37-23-16-18(4)14-15-22(23)17(2)3/h9-13,17-19,22-23,25,27H,8,14-16H2,1-7H3/t18-,19+,22+,23-,25-,27-,29+/m1/s1
InChIKey INHQMWBZNQSWPE-LWOMNCAJSA-N
Mol Weight 554.6 g/mol
Molecular Formula C30H41F3O6
Exact Mass 554.285524 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID ChBipsAZzTg
Name (1R,2S)-1-[(5R)-5-{[(1R,2S,5R)-2-isopropyl-5-methylcyclohexyl]oxy}-4-methyl-2-oxo-2,5-dihydrofuran-3-yl]-2-methylbutyl (2S)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 554.285523523 u
Formula C30H41F3O6
InChI InChI=1S/C30H41F3O6/c1-8-19(5)25(38-28(35)29(36-7,30(31,32)33)21-12-10-9-11-13-21)24-20(6)27(39-26(24)34)37-23-16-18(4)14-15-22(23)17(2)3/h9-13,17-19,22-23,25,27H,8,14-16H2,1-7H3/t18-,19+,22+,23-,25-,27-,29+/m1/s1
InChIKey INHQMWBZNQSWPE-LWOMNCAJSA-N
Molecular Weight 554.647 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)(C1=CC=CC=C1)OC)=O)([C@](CC)(C)[H])[H]