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2(1H)-Naphthalenone, 5-(1,1-dimethylethoxy)octahydro-4a-methyl-1-[(phenylsulfonyl)methyl]- , [1S-(1.alpha.,4a.alpha.,5.alpha.,8a.alpha.)]-

View entire compound with spectra: 1 MS (GC)

2(1H)-Naphthalenone, 5-(1,1-dimethylethoxy)octahydro-4a-methyl-1-[(phenylsulfonyl)methyl]- , [1S-(1.alpha.,4a.alpha.,5.alpha.,8a.alpha.)]-
SpectraBase Compound ID F0wJhbDMZfm
InChI InChI=1S/C22H32O4S/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/h5-7,9-10,17-18,20H,8,11-15H2,1-4H3/t17-,18-,20+,22+/m1/s1
InChIKey FCSQOZXPPYMXLJ-VFSLUADLSA-N
Mol Weight 392.6 g/mol
Molecular Formula C22H32O4S
Exact Mass 392.202131 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5SuN7lrXFxt
Name 2(1H)-Naphthalenone, 5-(1,1-dimethylethoxy)octahydro-4a-methyl-1-[(phenylsulfonyl)methyl]- , [1S-(1.alpha.,4a.alpha.,5.alpha.,8a.alpha.)]-
CAS Registry Number 69308-69-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H32O4S
InChI InChI=1S/C22H32O4S/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/h5-7,9-10,17-18,20H,8,11-15H2,1-4H3/t17-,18-,20+,22+/m1/s1
InChIKey FCSQOZXPPYMXLJ-VFSLUADLSA-N
Molecular Weight 392.554 g/mol
SMILES C(S(=O)(=O)c1ccccc1)[C@@]1([C@@]2([C@]([C@@](OC(C)(C)C)(CCC2)[H])(C)CCC1=O)[H])[H]
SPLASH splash10-0a4n-3900000000-3ea2e11efdc65d73efb3
Source of Spectrum H-61-2402-0
Synonyms (1R,4aS,5S,8aR)-5-(t-butoxy)-4a-methyl-1-(phenylsulfonylmethyl)-octahydro-1H-naphthalen-2-one (1R,4aS,5S,8aR)-5-tert-butoxy-4a-methyl-1-[(phenylsulfonyl)methyl]octahydro-2(1H)-naphthalenone
Wiley ID 1365834