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5-[4-[N-(5-Benzyloxy-2,4,6,7-tetrametylbenzofuran-3-ylmethyl]-(2S)-pyrrolidin-2-ylmethoxy]phenylmethylene]thiazolidine-2,4-dione
SpectraBase Compound ID C6dji4CIiXv
InChI InChI=1S/C35H36N2O5S/c1-21-22(2)33-31(23(3)32(21)41-19-26-9-6-5-7-10-26)29(24(4)42-33)18-37-16-8-11-27(37)20-40-28-14-12-25(13-15-28)17-30-34(38)36-35(39)43-30/h5-7,9-10,12-15,17,27H,8,11,16,18-20H2,1-4H3,(H,36,38,39)/b30-17-/t27-/m0/s1
InChIKey CTXRFUVSISAOKT-FNJJVTQMSA-N
Mol Weight 596.7 g/mol
Molecular Formula C35H36N2O5S
Exact Mass 596.234493 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HPheHfzerUi
Name 5-[4-[N-(5-Benzyloxy-2,4,6,7-tetrametylbenzofuran-3-ylmethyl]-(2S)-pyrrolidin-2-ylmethoxy]phenylmethylene]thiazolidine-2,4-dione
Comments Less than 3 mono-isotopic peaks
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Formula C35H36N2O5S
InChI InChI=1S/C35H36N2O5S/c1-21-22(2)33-31(23(3)32(21)41-19-26-9-6-5-7-10-26)29(24(4)42-33)18-37-16-8-11-27(37)20-40-28-14-12-25(13-15-28)17-30-34(38)36-35(39)43-30/h5-7,9-10,12-15,17,27H,8,11,16,18-20H2,1-4H3,(H,36,38,39)/b30-17-/t27-/m0/s1
InChIKey CTXRFUVSISAOKT-FNJJVTQMSA-N
Molecular Weight 596.742 g/mol
SMILES N1C(S\C(C1=O)=C\c1ccc(OC[C@]2(N(Cc3c4c(c(C)c(c(c4C)OCc4ccccc4)C)oc3C)CCC2)[H])cc1)=O
SPLASH splash10-004i-0009000000-eb7b32837ff8b103c151
Source of Spectrum F2-42-1938-23
Synonyms (5Z)-5-[[4-[[(2S)-1-[(2,4,6,7-tetramethyl-5-phenylmethoxy-3-benzofuranyl)methyl]-2-pyrrolidinyl]methoxy]phenyl]methylidene]thiazolidine-2,4-dione (5Z)-5-[[4-[[(2S)-1-[(5-benzyloxy-2,4,6,7-tetramethyl-benzofuran-3-yl)methyl]pyrrolidin-2-yl]methoxy]phenyl]methylene]thiazolidine-2,4-dione (5Z)-5-[[4-[[(2S)-1-[(2,4,6,7-tetramethyl-5-phenylmethoxy-1-benzofuran-3-yl)methyl]pyrrolidin-2-yl]methoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione
Wiley ID 1600187