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(2R,5R,6S,E)-2-(But-3-enyl)-5-isopropyl-3-[(S)-N-methyl-S-phenyl-sulfonimidoyl)]-6-(prop-1-enyl)-5,6-dihydro-2H-pyran-2-ol

View entire compound with spectra: 1 MS (GC)

(2R,5R,6S,E)-2-(But-3-enyl)-5-isopropyl-3-[(S)-N-methyl-S-phenyl-sulfonimidoyl)]-6-(prop-1-enyl)-5,6-dihydro-2H-pyran-2-ol
SpectraBase Compound ID JZHBaftZFYs
InChI InChI=1S/C22H31NO3S/c1-6-8-15-22(24)21(16-19(17(3)4)20(26-22)12-7-2)27(25,23-5)18-13-10-9-11-14-18/h6-7,9-14,16-17,19-20,24H,1,8,15H2,2-5H3/b12-7+/t19-,20-,22+,27+/m0/s1
InChIKey ALKJZMCBXZTJQR-CETCCCHXSA-N
Mol Weight 389.55 g/mol
Molecular Formula C22H31NO3S
Exact Mass 389.202465 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4AM2Aop1Fi0
Name (2R,5R,6S,E)-2-(But-3-enyl)-5-isopropyl-3-[(S)-N-methyl-S-phenyl-sulfonimidoyl)]-6-(prop-1-enyl)-5,6-dihydro-2H-pyran-2-ol
Alternate Name(s) (2R,5R,6S)-2-(but-3-en-1-yl)-5-isopropyl-3-(N-methylphenylsulfonimidoyl)-6-((E)-prop-1-en-1-yl)-5,6-dihydro-2H-pyran-2-ol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H31NO3S
InChI InChI=1S/C22H31NO3S/c1-6-8-15-22(24)21(16-19(17(3)4)20(26-22)12-7-2)27(25,23-5)18-13-10-9-11-14-18/h6-7,9-14,16-17,19-20,24H,1,8,15H2,2-5H3/b12-7+/t19-,20-,22+,27+/m0/s1
InChIKey ALKJZMCBXZTJQR-CETCCCHXSA-N
Literature Reference DOI 10.1021/ol800854s
Molecular Weight 389.554 g/mol
SMILES O[C@@]1(O[C@]([C@](C(C)C)(C=C1[S@](c1ccccc1)(=NC)=O)[H])(\C=C\C)[H])CCC=C
SPLASH splash10-056r-0901000000-0eecfff7cd83d03482e4
Source of Spectrum A1-10-2713/SMS19-9c
Wiley ID 1759573