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(3S,4S)-1-Phenyl-2-[(tert-butoxycarbonyl)amino]-3-benzyloxy-5-butadecanone
SpectraBase Compound ID BfgqxRI66J0
InChI InChI=1S/C32H47NO4/c1-5-6-7-8-9-10-17-22-28(34)24-30(36-25-27-20-15-12-16-21-27)29(23-26-18-13-11-14-19-26)33-31(35)37-32(2,3)4/h11-16,18-21,29-30H,5-10,17,22-25H2,1-4H3,(H,33,35)/t29-,30-/m0/s1
InChIKey WIICFNQCAXMCTN-KYJUHHDHSA-N
Mol Weight 509.7 g/mol
Molecular Formula C32H47NO4
Exact Mass 509.350509 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LejOSo5UA6x
Name (3S,4S)-1-Phenyl-2-[(tert-butoxycarbonyl)amino]-3-benzyloxy-5-butadecanone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C32H47NO4
InChI InChI=1S/C32H47NO4/c1-5-6-7-8-9-10-17-22-28(34)24-30(36-25-27-20-15-12-16-21-27)29(23-26-18-13-11-14-19-26)33-31(35)37-32(2,3)4/h11-16,18-21,29-30H,5-10,17,22-25H2,1-4H3,(H,33,35)/t29-,30-/m0/s1
InChIKey WIICFNQCAXMCTN-KYJUHHDHSA-N
Literature Reference DOI 10.1002/cjoc.19980160513
Molecular Weight 509.731 g/mol
SMILES N([C@@](Cc1ccccc1)([C@](CC(CCCCCCCCC)=O)(OCc1ccccc1)[H])[H])C(OC(C)(C)C)=O
SPLASH splash10-06xx-9622100000-4068033e09df62c67e28
Source of Spectrum CJC-16-464-12
Synonyms tert-Butyl ((2S,3S)-3-(benzyloxy)-5-oxo-1-phenyltetradecan-2-yl)carbamate N-[(2S,3S)-5-oxo-1-phenyl-3-phenylmethoxytetradecan-2-yl]carbamic acid tert-butyl ester tert-Butyl N-[(2S,3S)-5-oxo-1-phenyl-3-phenylmethoxytetradecan-2-yl]carbamate tert-Butyl N-[(1S,2S)-1-benzyl-2-benzyloxy-4-oxo-tridecyl]carbamate tert-Butyl N-[(2S,3S)-5-oxidanylidene-1-phenyl-3-phenylmethoxy-tetradecan-2-yl]carbamate
Wiley ID 1773361