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5-[4-[N-[(3R/S)-5-hydroxy-2,3-dihydroxy-2,2,4,6,7-pentametylbenzofuran-3-ylmethyl]-(2S)-pyrrolidin-2-ylmethoxy]phenylmethyl]-2,4-thiazolidindione
SpectraBase Compound ID EkQWvSq090g
InChI InChI=1S/C29H36N2O5S/c1-16-17(2)26-24(18(3)25(16)32)22(29(4,5)36-26)14-31-12-6-7-20(31)15-35-21-10-8-19(9-11-21)13-23-27(33)30-28(34)37-23/h8-11,20,22-23,32H,6-7,12-15H2,1-5H3,(H,30,33,34)/t20-,22?,23?/m0/s1
InChIKey MDPULBLYZQWTKD-RBKXMNCYSA-N
Mol Weight 524.7 g/mol
Molecular Formula C29H36N2O5S
Exact Mass 524.234493 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6XEm8LgXXZp
Name 5-[4-[N-[(3R/S)-5-hydroxy-2,3-dihydroxy-2,2,4,6,7-pentametylbenzofuran-3-ylmethyl]-(2S)-pyrrolidin-2-ylmethoxy]phenylmethyl]-2,4-thiazolidindione
Alternate Name(s) 5-[4-[N-[(3R/S)-2,3-Dihydro-5-hydroxy-2,2,4,6,7-pentamethylbenzofuran-3-ylmethyl)-(2S)-pyrrolidin-2-ylmethoxy]phenylmethyl]-2,4-thiazolidindione 5-[[4-[[(2S)-1-[(5-hydroxy-2,2,4,6,7-pentamethyl-3H-benzofuran-3-yl)methyl]-2-pyrrolidinyl]methoxy]phenyl]methyl]thiazolidine-2,4-dione 5-[[4-[[(2S)-1-[(5-hydroxy-2,2,4,6,7-pentamethyl-3H-1-benzofuran-3-yl)methyl]pyrrolidin-2-yl]methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione 5-[[4-[[(2S)-1-[(5-hydroxy-2,2,4,6,7-pentamethyl-3H-benzofuran-3-yl)methyl]pyrrolidin-2-yl]methoxy]phenyl]methyl]thiazolidine-2,4-dione 5-[[4-[[(2S)-1-[(2,2,4,6,7-pentamethyl-5-oxidanyl-3H-1-benzofuran-3-yl)methyl]pyrrolidin-2-yl]methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione
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Formula C29H36N2O5S
InChI InChI=1S/C29H36N2O5S/c1-16-17(2)26-24(18(3)25(16)32)22(29(4,5)36-26)14-31-12-6-7-20(31)15-35-21-10-8-19(9-11-21)13-23-27(33)30-28(34)37-23/h8-11,20,22-23,32H,6-7,12-15H2,1-5H3,(H,30,33,34)/t20-,22?,23?/m0/s1
InChIKey MDPULBLYZQWTKD-RBKXMNCYSA-N
Molecular Weight 524.676 g/mol
SMILES Oc1c(c(c2c(C(CN3[C@](COc4ccc(CC5C(NC(S5)=O)=O)cc4)(CCC3)[H])C(O2)(C)C)c1C)C)C
SPLASH splash10-014i-0009000000-2b1fc65ea11d7cae17db
Source of Spectrum F2-42-1937-19
Wiley ID 1600102