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(2S,4R,5S)-5-Methyl-2-[1-methyl-1-[1-(p-toluenesulfonyl)-4-indolyl]ethyl]-4-pivaloyloxy-5-vinylcyclohexan-1-one

View entire compound with spectra: 1 MS (GC)

(2S,4R,5S)-5-Methyl-2-[1-methyl-1-[1-(p-toluenesulfonyl)-4-indolyl]ethyl]-4-pivaloyloxy-5-vinylcyclohexan-1-one
SpectraBase Compound ID 3284hyFiBI0
InChI InChI=1S/C32H39NO5S/c1-9-32(8)20-27(34)25(19-28(32)38-29(35)30(3,4)5)31(6,7)24-11-10-12-26-23(24)17-18-33(26)39(36,37)22-15-13-21(2)14-16-22/h9-18,25,28H,1,19-20H2,2-8H3/t25-,28-,32-/m1/s1
InChIKey LZJLQPYNWXJHSW-LXPNYDBHSA-N
Mol Weight 549.7 g/mol
Molecular Formula C32H39NO5S
Exact Mass 549.254895 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ARoqIZFaLYz
Name (2S,4R,5S)-5-Methyl-2-[1-methyl-1-[1-(p-toluenesulfonyl)-4-indolyl]ethyl]-4-pivaloyloxy-5-vinylcyclohexan-1-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C32H39NO5S
InChI InChI=1S/C32H39NO5S/c1-9-32(8)20-27(34)25(19-28(32)38-29(35)30(3,4)5)31(6,7)24-11-10-12-26-23(24)17-18-33(26)39(36,37)22-15-13-21(2)14-16-22/h9-18,25,28H,1,19-20H2,2-8H3/t25-,28-,32-/m1/s1
InChIKey LZJLQPYNWXJHSW-LXPNYDBHSA-N
Molecular Weight 549.726 g/mol
SMILES C1([C@@](C[C@]([C@@](C1)(C=C)C)(OC(C(C)(C)C)=O)[H])(C(C)(c1c2cc[n](c2ccc1)S(=O)(=O)c1ccc(cc1)C)C)[H])=O
SPLASH splash10-08fr-4209000000-62b33f807fdc2b96d49e
Source of Spectrum E1-42-1396-18
Synonyms (1R,2S,5S)-2-methyl-5-(1-methyl-1-{1-[(4-methylphenyl)sulfonyl]-1H-indol-4-yl}ethyl)-4-oxo-2-vinylcyclohexyl pivalate 2,2-Dimethylpropanoic acid[(1R,2S,5S)-2-ethenyl-2-methyl-5-[2-[1-(4-methylphenyl)sulfonyl-4-indolyl]propan-2-yl]-4-oxocyclohexyl]ester 2,2-Dimethylpropionic acid[(1R,2S,5S)-4-keto-2-methyl-5-[1-methyl-1-(1-tosylindol-4-yl)ethyl]-2-vinyl-cyclohexyl]ester [(1R,2S,5S)-2-ethenyl-2-methyl-5-[2-[1-(4-methylphenyl)sulfonylindol-4-yl]propan-2-yl]-4-oxidanylidene-cyclohexyl]2,2-dimethylpropanoate [(1R,2S,5S)-2-ethenyl-2-methyl-5-[2-[1-(4-methylphenyl)sulfonylindol-4-yl]propan-2-yl]-4-oxocyclohexyl]2,2-dimethylpropanoate [(1R,2S,5S)-2-methyl-5-[1-methyl-1-[1-(p-tolylsulfonyl)indol-4-yl]ethyl]-4-oxo-2-vinyl-cyclohexyl]2,2-dimethylpropanoate 2,2-Dimethylpropanoic acid [(1R,2S,5S)-2-ethenyl-2-methyl-5-[2-[1-(4-methylphenyl)sulfonyl-4-indolyl]propan-2-yl]-4-oxocyclohexyl] ester [(1R,2S,5S)-2-ethenyl-2-methyl-5-[2-[1-(4-methylphenyl)sulfonylindol-4-yl]propan-2-yl]-4-oxocyclohexyl] 2,2-dimethylpropanoate [(1R,2S,5S)-2-methyl-5-[1-methyl-1-[1-(p-tolylsulfonyl)indol-4-yl]ethyl]-4-oxo-2-vinyl-cyclohexyl] 2,2-dimethylpropanoate [(1R,2S,5S)-2-ethenyl-2-methyl-5-[2-[1-(4-methylphenyl)sulfonylindol-4-yl]propan-2-yl]-4-oxidanylidene-cyclohexyl] 2,2-dimethylpropanoate
Wiley ID 1552654