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(4a.alpha.,5.alpha.,8.alpha.,8a.beta.)-octahydro-5,8-dihydroxy-4a-methyl-2(1H)-naphthalenone 5-(4-methylbenzenesulfonate)

View entire compound with spectra: 1 MS (GC)

(4a.alpha.,5.alpha.,8.alpha.,8a.beta.)-octahydro-5,8-dihydroxy-4a-methyl-2(1H)-naphthalenone 5-(4-methylbenzenesulfonate)
SpectraBase Compound ID 1Gdv7qsrEDo
InChI InChI=1S/C18H24O5S/c1-12-3-5-14(6-4-12)24(21,22)23-17-8-7-16(20)15-11-13(19)9-10-18(15,17)2/h3-6,15-17,20H,7-11H2,1-2H3/t15-,16-,17+,18+/m0/s1
InChIKey YQBXLHYSEQDULD-WNRNVDISSA-N
Mol Weight 352.45 g/mol
Molecular Formula C18H24O5S
Exact Mass 352.134445 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7Px9SCAkdle
Name (4a.alpha.,5.alpha.,8.alpha.,8a.beta.)-octahydro-5,8-dihydroxy-4a-methyl-2(1H)-naphthalenone 5-(4-methylbenzenesulfonate)
Alternate Name(s) (1R,4S,4aR,8aR)-4-hydroxy-8a-methyl-6-oxodecahydro-1-naphthalenyl 4-methylbenzenesulfonate
CAS Registry Number 124095-83-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H24O5S
InChI InChI=1S/C18H24O5S/c1-12-3-5-14(6-4-12)24(21,22)23-17-8-7-16(20)15-11-13(19)9-10-18(15,17)2/h3-6,15-17,20H,7-11H2,1-2H3/t15-,16-,17+,18+/m0/s1
InChIKey YQBXLHYSEQDULD-WNRNVDISSA-N
Molecular Weight 352.445 g/mol
SMILES O[C@]1(CC[C@]([C@]2([C@]1(CC(CC2)=O)[H])C)(OS(c1ccc(cc1)C)(=O)=O)[H])[H]
SPLASH splash10-001l-3900000000-131d94b052ca0b13830a
Source of Spectrum J-55-944-9
Wiley ID 1343127