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1-Piperidinecarboxylic acid, 2-methyl-6-[3-[[(phenylmethoxy)carbonyl]oxy]heptyl]-, phenylmethyl ester, [2.alpha.,6.alpha.(S*)]-(.+-.)-
SpectraBase Compound ID 14DNcO5lgfp
InChI InChI=1S/C29H39NO5/c1-3-4-18-27(35-29(32)34-22-25-15-9-6-10-16-25)20-19-26-17-11-12-23(2)30(26)28(31)33-21-24-13-7-5-8-14-24/h5-10,13-16,23,26-27H,3-4,11-12,17-22H2,1-2H3/t23-,26+,27+/m0/s1
InChIKey AEXIYFQDMZYPQL-HUROMRQRSA-N
Mol Weight 481.6 g/mol
Molecular Formula C29H39NO5
Exact Mass 481.282823 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ADPCSbnj5cb
Name 1-Piperidinecarboxylic acid, 2-methyl-6-[3-[[(phenylmethoxy)carbonyl]oxy]heptyl]-, phenylmethyl ester, [2.alpha.,6.alpha.(S*)]-(.+-.)-
CAS Registry Number 122045-84-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C29H39NO5
InChI InChI=1S/C29H39NO5/c1-3-4-18-27(35-29(32)34-22-25-15-9-6-10-16-25)20-19-26-17-11-12-23(2)30(26)28(31)33-21-24-13-7-5-8-14-24/h5-10,13-16,23,26-27H,3-4,11-12,17-22H2,1-2H3/t23-,26+,27+/m0/s1
InChIKey AEXIYFQDMZYPQL-HUROMRQRSA-N
Molecular Weight 481.633 g/mol
SMILES C(N1[C@@](CC[C@](OC(=O)OCc2ccccc2)(CCCC)[H])(CCC[C@@]1(C)[H])[H])(OCc1ccccc1)=O
SPLASH splash10-000f-9600000000-9a430d0961f523772208
Source of Spectrum J-54-4095-43
Synonyms benzyl (2R,6S)-2-((3R)-3-{[(benzyloxy)carbonyl]oxy}heptyl)-6-methyl-1-piperidinecarboxylate rel-[2s,6S,2(3R)]-N-[(benzyloxy)carbonyl]-2-[3-[[(benzyloxy)carbonyl]oxy]heptyl]-6-methylpiperidine
Wiley ID 1395437