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N-[(3S,4S,5R,6S)-4-Hydroxy-5-benzyloxy-6-methyl-1-(phenylsulfonyl)piperidinyl]-N-methylbenzamide
SpectraBase Compound ID 71BmelSKR2D
InChI InChI=1S/C27H30N2O5S/c1-20-26(34-19-21-12-6-3-7-13-21)24(30)18-25(28(2)27(31)22-14-8-4-9-15-22)29(20)35(32,33)23-16-10-5-11-17-23/h3-17,20,24-26,30H,18-19H2,1-2H3/t20-,24-,25?,26+/m0/s1
InChIKey FQSFCZLAYJBNNC-WMCZPRBYSA-N
Mol Weight 494.61 g/mol
Molecular Formula C27H30N2O5S
Exact Mass 494.187543 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4ZtAVnfehmD
Name N-[(3S,4S,5R,6S)-4-Hydroxy-5-benzyloxy-6-methyl-1-(phenylsulfonyl)piperidinyl]-N-methylbenzamide
Alternate Name(s) N-[(4S,5R,6S)-5-(benzyloxy)-4-hydroxy-6-methyl-1-(phenylsulfonyl)piperidinyl]-N-methylbenzamide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H30N2O5S
InChI InChI=1S/C27H30N2O5S/c1-20-26(34-19-21-12-6-3-7-13-21)24(30)18-25(28(2)27(31)22-14-8-4-9-15-22)29(20)35(32,33)23-16-10-5-11-17-23/h3-17,20,24-26,30H,18-19H2,1-2H3/t20-,24-,25?,26+/m0/s1
InChIKey FQSFCZLAYJBNNC-WMCZPRBYSA-N
Molecular Weight 494.606 g/mol
SMILES O[C@@]1([C@@]([C@@](N(S(=O)(=O)c2ccccc2)C(N(C(=O)c2ccccc2)C)C1)(C)[H])(OCc1ccccc1)[H])[H]
SPLASH splash10-0fr6-9032600000-ce21968c506c16e5a018
Source of Spectrum J-67-3192-10
Wiley ID 1569749