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(5S,6E,8R,9S,10E)-8-isopropyl-6-[(S)-N-methyl-S-phenyl-sulfonimidoyl)]-9-(triethylsilyloxy)dodeca-1,6,10-trien-5-ol
SpectraBase Compound ID Cx7DM87JcuN
InChI InChI=1S/C28H47NO3SSi/c1-9-14-21-26(30)28(33(31,29-8)24-19-16-15-17-20-24)22-25(23(6)7)27(18-10-2)32-34(11-3,12-4)13-5/h9-10,15-20,22-23,25-27,30H,1,11-14,21H2,2-8H3/b18-10+,28-22+/t25-,26-,27-,33+/m0/s1
InChIKey HLGFEIVQBMUVGI-KYONGPQOSA-N
Mol Weight 505.8 g/mol
Molecular Formula C28H47NO3SSi
Exact Mass 505.304592 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2pFAqV2E3Df
Name (5S,6E,8R,9S,10E)-8-isopropyl-6-[(S)-N-methyl-S-phenyl-sulfonimidoyl)]-9-(triethylsilyloxy)dodeca-1,6,10-trien-5-ol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H47NO3SSi
InChI InChI=1S/C28H47NO3SSi/c1-9-14-21-26(30)28(33(31,29-8)24-19-16-15-17-20-24)22-25(23(6)7)27(18-10-2)32-34(11-3,12-4)13-5/h9-10,15-20,22-23,25-27,30H,1,11-14,21H2,2-8H3/b18-10+,28-22+/t25-,26-,27-,33+/m0/s1
InChIKey HLGFEIVQBMUVGI-KYONGPQOSA-N
Literature Reference DOI 10.1021/ol800854s
Molecular Weight 505.833 g/mol
SMILES O[C@@](CCC=C)(\C(=C/[C@]([C@@](O[Si](CC)(CC)CC)(\C=C\C)[H])(C(C)C)[H])[S@@](=NC)(c1ccccc1)=O)[H]
SPLASH splash10-000i-1910000000-90e93b1e8b69188fe19a
Source of Spectrum A1-10-2713/SMS10-S_3c
Synonyms (5S,6E,8R,9S,10E)-8-isopropyl-6-(N-methylphenylsulfonimidoyl)-9-((triethylsilyl)oxy)dodeca-1,6,10-trien-5-ol
Wiley ID 1759576