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benzyl (1R*,2S*,4S*)-2-(N-benzyloxycarbonyl-L-alanyl)amino-1-trimethylsilyloxybicyclo[2.2.2]oct-5-ene-2-carboxylate exo diastereomer
SpectraBase Compound ID JS8wJqQ6irT
InChI InChI=1S/C30H38N2O6Si/c1-22(31-28(35)37-21-25-13-9-6-10-14-25)26(33)32-30(27(34)36-20-24-11-7-5-8-12-24)19-23-15-17-29(30,18-16-23)38-39(2,3)4/h5-15,17,22-23H,16,18-21H2,1-4H3,(H,31,35)(H,32,33)/t22-,23-,29-,30+/m0/s1
InChIKey AQBKEKOBELFSSX-TZZQULJZSA-N
Mol Weight 550.7 g/mol
Molecular Formula C30H38N2O6Si
Exact Mass 550.249913 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DVrHVMX0TAo
Name benzyl (1R*,2S*,4S*)-2-(N-benzyloxycarbonyl-L-alanyl)amino-1-trimethylsilyloxybicyclo[2.2.2]oct-5-ene-2-carboxylate exo diastereomer
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Formula C30H38N2O6Si
InChI InChI=1S/C30H38N2O6Si/c1-22(31-28(35)37-21-25-13-9-6-10-14-25)26(33)32-30(27(34)36-20-24-11-7-5-8-12-24)19-23-15-17-29(30,18-16-23)38-39(2,3)4/h5-15,17,22-23H,16,18-21H2,1-4H3,(H,31,35)(H,32,33)/t22-,23-,29-,30+/m0/s1
InChIKey AQBKEKOBELFSSX-TZZQULJZSA-N
Molecular Weight 550.727 g/mol
SMILES N([C@@]1([C@@]2(C=C[C@](C1)(CC2)[H])O[Si](C)(C)C)C(OCc1ccccc1)=O)C([C@@](NC(=O)OCc1ccccc1)(C)[H])=O
SPLASH splash10-014l-6900000000-c099415048dc7f0c41c9
Source of Spectrum B-47-1695-0
Synonyms benzyl (1R,2R,4S)-2-[((2S)-2-{[(benzyloxy)carbonyl]amino}propanoyl)amino]-1-[(trimethylsilyl)oxy]bicyclo[2.2.2]oct-5-ene-2-carboxylate
Wiley ID 1405710