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(E)-1-((R)-2-((S)-2-Methyl-1-(triethylsilyloxy)propyl)cyclohexylidene)-1-[(S)-N-methyl-S-phenyl-sulfonimidoyl)]-hex-5-en-2-one

View entire compound with spectra: 1 MS (GC)

(E)-1-((R)-2-((S)-2-Methyl-1-(triethylsilyloxy)propyl)cyclohexylidene)-1-[(S)-N-methyl-S-phenyl-sulfonimidoyl)]-hex-5-en-2-one
SpectraBase Compound ID CRUG9arDfDi
InChI InChI=1S/C29H47NO3SSi/c1-8-12-22-27(31)29(34(32,30-7)24-18-14-13-15-19-24)26-21-17-16-20-25(26)28(23(5)6)33-35(9-2,10-3)11-4/h8,13-15,18-19,23,25,28H,1,9-12,16-17,20-22H2,2-7H3/b29-26+/t25-,28+,34-/m1/s1
InChIKey AFYPTLCHMROBBP-SMJVSLJTSA-N
Mol Weight 517.8 g/mol
Molecular Formula C29H47NO3SSi
Exact Mass 517.304592 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B2XysEyYcvg
Name (E)-1-((R)-2-((S)-2-Methyl-1-(triethylsilyloxy)propyl)cyclohexylidene)-1-[(S)-N-methyl-S-phenyl-sulfonimidoyl)]-hex-5-en-2-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C29H47NO3SSi
InChI InChI=1S/C29H47NO3SSi/c1-8-12-22-27(31)29(34(32,30-7)24-18-14-13-15-19-24)26-21-17-16-20-25(26)28(23(5)6)33-35(9-2,10-3)11-4/h8,13-15,18-19,23,25,28H,1,9-12,16-17,20-22H2,2-7H3/b29-26+/t25-,28+,34-/m1/s1
InChIKey AFYPTLCHMROBBP-SMJVSLJTSA-N
Literature Reference DOI 10.1021/ol800854s
Molecular Weight 517.844 g/mol
SMILES C1C[C@](\C(CC1)=C/(C(CCC=C)=O)[S@@](c1ccccc1)(=O)=NC)([C@](C(C)C)(O[Si](CC)(CC)CC)[H])[H]
SPLASH splash10-0170-0925000000-02cd632a6c7bbe3fd3a7
Source of Spectrum A1-10-2713/SMS16-8a
Synonyms (E)-1-((R)-2-((S)-2-methyl-1-((triethylsilyl)oxy)propyl)cyclohexylidene)-1-(N-methylphenylsulfonimidoyl)hex-5-en-2-one
Wiley ID 1759570