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1-[(1S,3aS,3bS,5aS,7R,9aR,9bS,11aS)-7-hydroxy-5,5-diketo-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-5,5-diketo-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 J6qgPSRDcRZ
InChI InChI=1S/C20H32O4S/c1-12(21)15-4-5-16-14-11-25(23,24)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-/m1/s1
InChIKey NTEKVXJWCFVKHJ-RGKKAASSSA-N
Mol Weight 368.5 g/mol
Molecular Formula C20H32O4S
Exact Mass 368.202131 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2GU7PNvgTev
Name 1-[(1S,3aS,3bS,5aS,7R,9aR,9bS,11aS)-7-hydroxy-5,5-diketo-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
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H32O4S
InChI InChI=1S/C20H32O4S/c1-12(21)15-4-5-16-14-11-25(23,24)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-/m1/s1
InChIKey NTEKVXJWCFVKHJ-RGKKAASSSA-N
Molecular Weight 368.532 g/mol
SMILES O[C@]1(C[C@]2([C@@](CC1)(C)[C@@]1([C@@](CS2(=O)=O)([C@]2([C@@]([C@@](C(=O)C)(CC2)[H])(CC1)C)[H])[H])[H])[H])[H]
SPLASH splash10-0006-9000000000-027132c5a031cab9c904
Source of Spectrum F-62-4768-16
Synonyms 1-[(1S,3aS,3bS,5aS,7R,9aR,9bS,11aS)-7-hydroxy-9a,11a-dimethyl-5,5-dioxo-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-5,5-bis(oxidanylidene)-1,2,3,3a,3b,4,5a,6,7,8,9,9b,10,11-tetradecahydroindeno[4,5-c]thiochromen-1-yl]ethanone
Wiley ID 1633327