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(8a,8b-cis) 8b-(methylthio)carbonyl-7-hydroxy-8a-methyl-2a,5,5a,6,8a,8b-hexahydro-2H-naphtho[1,8-bc]furan-6-one
SpectraBase Compound ID jhSbJntZSS
InChI InChI=1S/C14H16O4S/c1-13-6-10(15)11(16)9-5-3-4-8(7-18-13)14(9,13)12(17)19-2/h3-4,6,8-9,15H,5,7H2,1-2H3/t8-,9-,13-,14+/m1/s1
InChIKey MEXUDOZZYFQCIL-NTKGCBCNSA-N
Mol Weight 280.34 g/mol
Molecular Formula C14H16O4S
Exact Mass 280.07693 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Lm146Ct3S80
Name (8a,8b-cis) 8b-(methylthio)carbonyl-7-hydroxy-8a-methyl-2a,5,5a,6,8a,8b-hexahydro-2H-naphtho[1,8-bc]furan-6-one
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Formula C14H16O4S
InChI InChI=1S/C14H16O4S/c1-13-6-10(15)11(16)9-5-3-4-8(7-18-13)14(9,13)12(17)19-2/h3-4,6,8-9,15H,5,7H2,1-2H3/t8-,9-,13-,14+/m1/s1
InChIKey MEXUDOZZYFQCIL-NTKGCBCNSA-N
Molecular Weight 280.338 g/mol
SMILES OC=1C([C@@]2([C@]3([C@@](C1)(OC[C@]3(C=CC2)[H])C)C(=O)SC)[H])=O
SPLASH splash10-053r-1950000000-546b57cc5799d23fe1b4
Source of Spectrum JA-50-271-0
Synonyms S-methyl (8aS,8bS)-7-hydroxy-8a-methyl-6-oxo-2,2a,5,5a,6,8a-hexahydro-8bH-naphtho[1,8-bc]furan-8b-carbothioate
Wiley ID 1283586