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(9R,10S,E)-9-Isopropyl-11-methyl-7-[(S)-N-methyl-S-phenyl-sulfonimidoyl)]-10-(triethylsilyloxy)dodeca-1,7-dien-6-one
SpectraBase Compound ID 3j8QATr4JCx
InChI InChI=1S/C29H49NO3SSi/c1-10-14-16-21-27(31)28(34(32,30-9)25-19-17-15-18-20-25)22-26(23(5)6)29(24(7)8)33-35(11-2,12-3)13-4/h10,15,17-20,22-24,26,29H,1,11-14,16,21H2,2-9H3/b28-22+/t26-,29-,34+/m0/s1
InChIKey WNQWHLVCNJHDIO-GKKGRKGDSA-N
Mol Weight 519.9 g/mol
Molecular Formula C29H49NO3SSi
Exact Mass 519.320242 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Zbsz3IzOtb
Name (9R,10S,E)-9-Isopropyl-11-methyl-7-[(S)-N-methyl-S-phenyl-sulfonimidoyl)]-10-(triethylsilyloxy)dodeca-1,7-dien-6-one
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C29H49NO3SSi
InChI InChI=1S/C29H49NO3SSi/c1-10-14-16-21-27(31)28(34(32,30-9)25-19-17-15-18-20-25)22-26(23(5)6)29(24(7)8)33-35(11-2,12-3)13-4/h10,15,17-20,22-24,26,29H,1,11-14,16,21H2,2-9H3/b28-22+/t26-,29-,34+/m0/s1
InChIKey WNQWHLVCNJHDIO-GKKGRKGDSA-N
Literature Reference DOI 10.1021/ol800854s
Molecular Weight 519.860 g/mol
SMILES CN=[S@@](c1ccccc1)(\C(=C\[C@]([C@@](O[Si](CC)(CC)CC)(C(C)C)[H])(C(C)C)[H])C(=O)CCCC=C)=O
SPLASH splash10-05v0-0925000000-351fa19368185bd5c2c3
Source of Spectrum A1-10-2713/SMS11-4b
Synonyms (9R,10S,E)-9-isopropyl-11-methyl-7-(N-methylphenylsulfonimidoyl)-10-((triethylsilyl)oxy)dodeca-1,7-dien-6-one
Wiley ID 1759567