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5-[4-[N-[(3R/S)-2,3-Dihydro-5-benzyloxy-2,2,4,6,7-pentamethylbenzofuran-3-ylmethyl)-(2S)-pyrrolidin-2-ylmethoxy]phenylmethyl]-2-imino-4-thiazolidinone

View entire compound with spectra: 1 MS (GC)

5-[4-[N-[(3R/S)-2,3-Dihydro-5-benzyloxy-2,2,4,6,7-pentamethylbenzofuran-3-ylmethyl)-(2S)-pyrrolidin-2-ylmethoxy]phenylmethyl]-2-imino-4-thiazolidinone
SpectraBase Compound ID H2OqVLvw1XX
InChI InChI=1S/C36H43N3O4S/c1-22-23(2)33-31(24(3)32(22)42-20-26-10-7-6-8-11-26)29(36(4,5)43-33)19-39-17-9-12-27(39)21-41-28-15-13-25(14-16-28)18-30-34(40)38-35(37)44-30/h6-8,10-11,13-16,27,29-30H,9,12,17-21H2,1-5H3,(H2,37,38,40)/t27-,29?,30?/m0/s1
InChIKey XVMDYHGNYRQWNF-MQPDAGPXSA-N
Mol Weight 613.8 g/mol
Molecular Formula C36H43N3O4S
Exact Mass 613.297428 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Ih9Ek44kUWp
Name 5-[4-[N-[(3R/S)-2,3-Dihydro-5-benzyloxy-2,2,4,6,7-pentamethylbenzofuran-3-ylmethyl)-(2S)-pyrrolidin-2-ylmethoxy]phenylmethyl]-2-imino-4-thiazolidinone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C36H43N3O4S
InChI InChI=1S/C36H43N3O4S/c1-22-23(2)33-31(24(3)32(22)42-20-26-10-7-6-8-11-26)29(36(4,5)43-33)19-39-17-9-12-27(39)21-41-28-15-13-25(14-16-28)18-30-34(40)38-35(37)44-30/h6-8,10-11,13-16,27,29-30H,9,12,17-21H2,1-5H3,(H2,37,38,40)/t27-,29?,30?/m0/s1
InChIKey XVMDYHGNYRQWNF-MQPDAGPXSA-N
Molecular Weight 613.817 g/mol
SMILES N1C(SC(C1=O)Cc1ccc(OC[C@]2(N(CC3c4c(OC3(C)C)c(C)c(c(c4C)OCc3ccccc3)C)CCC2)[H])cc1)=N
SPLASH splash10-0006-9010000000-16a79fb202ba4ab35a65
Source of Spectrum F2-42-1936-0
Wiley ID 1600104