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1(2H)-Naphthalenone, octahydro-6-hydroxy-8a-methyl-4-[(phenylthio)methyl]-, (4.alpha.,4a.beta.,6.alpha.,8a.beta.)-(.+-.)-
SpectraBase Compound ID CjWDtEn3FHa
InChI InChI=1S/C18H24O2S/c1-18-10-9-14(19)11-16(18)13(7-8-17(18)20)12-21-15-5-3-2-4-6-15/h2-6,13-14,16,19H,7-12H2,1H3/t13-,14-,16+,18+/m1/s1
InChIKey MTOJRVAWTOKUIP-DEICHXMPSA-N
Mol Weight 304.45 g/mol
Molecular Formula C18H24O2S
Exact Mass 304.149701 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GH4PbhTI0J5
Name 1(2H)-Naphthalenone, octahydro-6-hydroxy-8a-methyl-4-[(phenylthio)methyl]-, (4.alpha.,4a.beta.,6.alpha.,8a.beta.)-(.+-.)-
CAS Registry Number 122421-66-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H24O2S
InChI InChI=1S/C18H24O2S/c1-18-10-9-14(19)11-16(18)13(7-8-17(18)20)12-21-15-5-3-2-4-6-15/h2-6,13-14,16,19H,7-12H2,1H3/t13-,14-,16+,18+/m1/s1
InChIKey MTOJRVAWTOKUIP-DEICHXMPSA-N
Molecular Weight 304.448 g/mol
SMILES O[C@@]1(CC[C@]2([C@]([C@@](CSc3ccccc3)(CCC2=O)[H])(C1)[H])C)[H]
SPLASH splash10-0r6r-6903000000-433d1b332cc762bba5bf
Source of Spectrum KC-1988-3227-26
Synonyms (4S,4aS,6R,8aS)-6-hydroxy-8a-methyl-4-[(phenylsulfanyl)methyl]octahydro-1(2H)-naphthalenone 8.beta.hydroxy-1.alpha.methyl-5.beta.-(phenylthiomethyl)-bicyclo[4.4.0]decan-2-one
Wiley ID 1306545