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4-[(3R,4R,5S)-3,4-Dibenzyloxy-5-(methanesulfoxy)methyl-pyrrolidin-2-ylidene]-2-[(2S)-2,3-epoxy-2-methylpropionyl]-4H-oxazol-5-one

View entire compound with spectra: 1 MS (GC)

4-[(3R,4R,5S)-3,4-Dibenzyloxy-5-(methanesulfoxy)methyl-pyrrolidin-2-ylidene]-2-[(2S)-2,3-epoxy-2-methylpropionyl]-4H-oxazol-5-one
SpectraBase Compound ID BuMpYJt0FKi
InChI InChI=1S/C27H28N2O9S/c1-27(16-36-27)24(30)25-29-21(26(31)38-25)20-23(35-14-18-11-7-4-8-12-18)22(19(28-20)15-37-39(2,32)33)34-13-17-9-5-3-6-10-17/h3-12,19,22-23,28H,13-16H2,1-2H3/t19-,22+,23+,27-/m0/s1
InChIKey UQFXNECADJWWJR-FVXYUFHJSA-N
Mol Weight 556.59 g/mol
Molecular Formula C27H28N2O9S
Exact Mass 556.151552 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID INS6W0MEO
Name 4-[(3R,4R,5S)-3,4-Dibenzyloxy-5-(methanesulfoxy)methyl-pyrrolidin-2-ylidene]-2-[(2S)-2,3-epoxy-2-methylpropionyl]-4H-oxazol-5-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H28N2O9S
InChI InChI=1S/C27H28N2O9S/c1-27(16-36-27)24(30)25-29-21(26(31)38-25)20-23(35-14-18-11-7-4-8-12-18)22(19(28-20)15-37-39(2,32)33)34-13-17-9-5-3-6-10-17/h3-12,19,22-23,28H,13-16H2,1-2H3/t19-,22+,23+,27-/m0/s1
InChIKey UQFXNECADJWWJR-FVXYUFHJSA-N
Molecular Weight 556.586 g/mol
SMILES N1[C@]([C@]([C@@](C1=C1N=C(C([C@]2(OC2)C)=O)OC1=O)(OCc1ccccc1)[H])(OCc1ccccc1)[H])(COS(=O)(=O)C)[H]
SPLASH splash10-0006-9000000000-89e1e1040a6c6c43c461
Source of Spectrum F-59-3083-45
Wiley ID 1677935