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1-[(1S,3aS,3bS,5aS,7R,9aR,9bS,11aS)-7-hydroxy-5-keto-9a,11a-dimethyl-1,2,3,3a,3b,4,5a,6,7,8,9,9b,10,11-tetradecahydroindeno[4,5-c]thiochromen-1-yl]ethanone

View entire compound with spectra: 1 MS (GC)

1-[(1S,3aS,3bS,5aS,7R,9aR,9bS,11aS)-7-hydroxy-5-keto-9a,11a-dimethyl-1,2,3,3a,3b,4,5a,6,7,8,9,9b,10,11-tetradecahydroindeno[4,5-c]thiochromen-1-yl]ethanone
SpectraBase Compound ID DXiFL10Az7Y
InChI InChI=1S/C20H32O3S/c1-12(21)15-4-5-16-14-11-24(23)18-10-13(22)6-8-20(18,3)17(14)7-9-19(15,16)2/h13-18,22H,4-11H2,1-3H3/t13-,14+,15-,16+,17+,18+,19-,20-,24?/m1/s1
InChIKey AFYSJYMCEGGOGA-GYPMRRKMSA-N
Mol Weight 352.5 g/mol
Molecular Formula C20H32O3S
Exact Mass 352.207216 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JZcmR0fbwgq
Name 1-[(1S,3aS,3bS,5aS,7R,9aR,9bS,11aS)-7-hydroxy-5-keto-9a,11a-dimethyl-1,2,3,3a,3b,4,5a,6,7,8,9,9b,10,11-tetradecahydroindeno[4,5-c]thiochromen-1-yl]ethanone
Alternate Name(s) 1-[(1S,3aS,3bS,5aS,7R,9aR,9bS,11aS)-7-hydroxy-9a,11a-dimethyl-5-oxo-1,2,3,3a,3b,4,5a,6,7,8,9,9b,10,11-tetradecahydroindeno[4,5-c]thiochromen-1-yl]ethanone 1-[(1S,3aS,3bS,5aS,7R,9aR,9bS,11aS)-9a,11a-dimethyl-7-oxidanyl-5-oxidanylidene-1,2,3,3a,3b,4,5a,6,7,8,9,9b,10,11-tetradecahydroindeno[4,5-c]thiochromen-1-yl]ethanone
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Formula C20H32O3S
InChI InChI=1S/C20H32O3S/c1-12(21)15-4-5-16-14-11-24(23)18-10-13(22)6-8-20(18,3)17(14)7-9-19(15,16)2/h13-18,22H,4-11H2,1-3H3/t13-,14+,15-,16+,17+,18+,19-,20-,24?/m1/s1
InChIKey AFYSJYMCEGGOGA-GYPMRRKMSA-N
Molecular Weight 352.533 g/mol
SMILES O[C@]1(C[C@]2([C@@](CC1)(C)[C@@]1([C@@](CS2=O)([C@]2([C@@]([C@@](C(=O)C)(CC2)[H])(CC1)C)[H])[H])[H])[H])[H]
SPLASH splash10-00di-0900000000-69bd35d2b4e9fc2f7361
Source of Spectrum F-62-4767-15
Wiley ID 1633328