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(4aS,5S)-1-(benzenesulfonylmethyl)-4a-methyl-5-[(2-methylpropan-2-yl)oxy]-3,4,5,6,7,8-hexahydronaphthalen-2-one
SpectraBase Compound ID Lo4NGOlDpmw
InChI InChI=1S/C22H30O4S/c1-21(2,3)26-20-12-8-11-18-17(19(23)13-14-22(18,20)4)15-27(24,25)16-9-6-5-7-10-16/h5-7,9-10,20H,8,11-15H2,1-4H3/t20-,22-/m0/s1
InChIKey GEYZAOAIULLPGG-UNMCSNQZSA-N
Mol Weight 390.54 g/mol
Molecular Formula C22H30O4S
Exact Mass 390.186481 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4lkMlRNnKKv
Name (4aS,5S)-1-(benzenesulfonylmethyl)-4a-methyl-5-[(2-methylpropan-2-yl)oxy]-3,4,5,6,7,8-hexahydronaphthalen-2-one
CAS Registry Number 61930-70-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H30O4S
InChI InChI=1S/C22H30O4S/c1-21(2,3)26-20-12-8-11-18-17(19(23)13-14-22(18,20)4)15-27(24,25)16-9-6-5-7-10-16/h5-7,9-10,20H,8,11-15H2,1-4H3/t20-,22-/m0/s1
InChIKey GEYZAOAIULLPGG-UNMCSNQZSA-N
Molecular Weight 390.538 g/mol
SMILES C1(=C2[C@]([C@@](OC(C)(C)C)(CCC2)[H])(C)CCC1=O)CS(=O)(=O)c1ccccc1
SPLASH splash10-053f-3901000000-4c55b02ae2058d25b039
Source of Spectrum H-61-2401-0
Synonyms (4aS,5S)-1-(benzenesulfonylmethyl)-5-tert-butoxy-4a-methyl-3,4,5,6,7,8-hexahydronaphthalen-2-one (4aS,5S)-1-(besylmethyl)-5-tert-butoxy-4a-methyl-3,4,5,6,7,8-hexahydronaphthalen-2-one (4aS,5S)-4a-methyl-5-[(2-methylpropan-2-yl)oxy]-1-(phenylsulfonylmethyl)-3,4,5,6,7,8-hexahydronaphthalen-2-one
Wiley ID 1364847