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(2S,8S)-{[N-(Benzyloxycarbonyl)-2-2-(N-benzyloxycarbonyl)-(4,4-diethoxybutyl)amino]but-3-enyl}-1,2,5,6-tetrahydropyridine
SpectraBase Compound ID KPHWT0HjlY5
InChI InChI=1S/C33H44N2O6/c1-4-29(24-30-20-13-14-22-35(30)33(37)41-26-28-18-11-8-12-19-28)34(23-15-21-31(38-5-2)39-6-3)32(36)40-25-27-16-9-7-10-17-27/h4,7-13,16-20,29-31H,1,5-6,14-15,21-26H2,2-3H3/t29-,30-/m1/s1
InChIKey CRAVTANPPYAZJM-LOYHVIPDSA-N
Mol Weight 564.7 g/mol
Molecular Formula C33H44N2O6
Exact Mass 564.319937 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4A8YGyVQz3Z
Name (2S,8S)-{[N-(Benzyloxycarbonyl)-2-2-(N-benzyloxycarbonyl)-(4,4-diethoxybutyl)amino]but-3-enyl}-1,2,5,6-tetrahydropyridine
Alternate Name(s) (6S)-6-[(2S)-2-[4,4-diethoxybutyl(phenylmethoxycarbonyl)amino]but-3-enyl]-3,6-dihydro-2H-pyridine-1-carboxylic acid (phenylmethyl) ester benzyl (6S)-6-[(2S)-2-[4,4-diethoxybutyl(phenylmethoxycarbonyl)amino]but-3-enyl]-3,6-dihydro-2H-pyridine-1-carboxylate benzyl (6S)-6-[(2S)-2-[benzyloxycarbonyl(4,4-diethoxybutyl)amino]but-3-enyl]-3,6-dihydro-2H-pyridine-1-carboxylate (phenylmethyl) (6S)-6-[(2S)-2-[4,4-diethoxybutyl(phenylmethoxycarbonyl)amino]but-3-enyl]-3,6-dihydro-2H-pyridine-1-carboxylate
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Formula C33H44N2O6
InChI InChI=1S/C33H44N2O6/c1-4-29(24-30-20-13-14-22-35(30)33(37)41-26-28-18-11-8-12-19-28)34(23-15-21-31(38-5-2)39-6-3)32(36)40-25-27-16-9-7-10-17-27/h4,7-13,16-20,29-31H,1,5-6,14-15,21-26H2,2-3H3/t29-,30-/m1/s1
InChIKey CRAVTANPPYAZJM-LOYHVIPDSA-N
Molecular Weight 564.723 g/mol
SMILES C(N1[C@@](C[C@](N(C(OCc2ccccc2)=O)CCCC(OCC)OCC)(C=C)[H])(C=CCC1)[H])(OCc1ccccc1)=O
SPLASH splash10-006x-9161110000-602d7fcb43a6101c1579
Source of Spectrum C-122-9589-19
Wiley ID 1700461