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5-[4-[N-(5-Hydroxy-2,4,6,7-tetrametylbenzofuran-3-ylmethyl]-(2S)-pyrrolidin-2-ylmethoxy]phenylmethylene]thiazolidine-2,4-dione
SpectraBase Compound ID 61k2dJegP2S
InChI InChI=1S/C28H30N2O5S/c1-15-16(2)26-24(17(3)25(15)31)22(18(4)35-26)13-30-11-5-6-20(30)14-34-21-9-7-19(8-10-21)12-23-27(32)29-28(33)36-23/h7-10,12,20,31H,5-6,11,13-14H2,1-4H3,(H,29,32,33)/b23-12-/t20-/m0/s1
InChIKey GQFJTMNFEFBMGE-BIFQTZPZSA-N
Mol Weight 506.62 g/mol
Molecular Formula C28H30N2O5S
Exact Mass 506.187543 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID L7cSOSdn0Ls
Name 5-[4-[N-(5-Hydroxy-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 C28H30N2O5S
InChI InChI=1S/C28H30N2O5S/c1-15-16(2)26-24(17(3)25(15)31)22(18(4)35-26)13-30-11-5-6-20(30)14-34-21-9-7-19(8-10-21)12-23-27(32)29-28(33)36-23/h7-10,12,20,31H,5-6,11,13-14H2,1-4H3,(H,29,32,33)/b23-12-/t20-/m0/s1
InChIKey GQFJTMNFEFBMGE-BIFQTZPZSA-N
Molecular Weight 506.617 g/mol
SMILES Oc1c(c(c2c(c(CN3[C@](COc4ccc(\C=C\5C(NC(S5)=O)=O)cc4)(CCC3)[H])c(o2)C)c1C)C)C
SPLASH splash10-000i-0910000000-ea0d371cd46874403cf6
Source of Spectrum F2-42-1938-23
Synonyms (5Z)-5-[[4-[[(2S)-1-[(5-hydroxy-2,4,6,7-tetramethyl-3-benzofuranyl)methyl]-2-pyrrolidinyl]methoxy]phenyl]methylidene]thiazolidine-2,4-dione (5Z)-5-[[4-[[(2S)-1-[(5-hydroxy-2,4,6,7-tetramethyl-1-benzofuran-3-yl)methyl]pyrrolidin-2-yl]methoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione (5Z)-5-[[4-[[(2S)-1-[(5-hydroxy-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-oxidanyl-1-benzofuran-3-yl)methyl]pyrrolidin-2-yl]methoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione
Wiley ID 1600186