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(1S,2S,5S,6S,1'S,2''S)-2,6-Bis(1-phenylethylaminomethyl)bicyclo[3.3.0]octan-2,6-diol

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(1S,2S,5S,6S,1'S,2''S)-2,6-Bis(1-phenylethylaminomethyl)bicyclo[3.3.0]octan-2,6-diol
SpectraBase Compound ID ABXLQaZhJiv
InChI InChI=1S/C26H36N2O2/c1-19(21-9-5-3-6-10-21)27-17-25(29)15-13-24-23(25)14-16-26(24,30)18-28-20(2)22-11-7-4-8-12-22/h3-12,19-20,23-24,27-30H,13-18H2,1-2H3/t19-,20-,23-,24-,25-,26-/m0/s1
InChIKey MJEPYXUTLZDAAP-CGZLHFDMSA-N
Mol Weight 408.6 g/mol
Molecular Formula C26H36N2O2
Exact Mass 408.277678 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BpUgZLMMBiV
Name (1S,2S,5S,6S,1'S,2''S)-2,6-Bis(1-phenylethylaminomethyl)bicyclo[3.3.0]octan-2,6-diol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H36N2O2
InChI InChI=1S/C26H36N2O2/c1-19(21-9-5-3-6-10-21)27-17-25(29)15-13-24-23(25)14-16-26(24,30)18-28-20(2)22-11-7-4-8-12-22/h3-12,19-20,23-24,27-30H,13-18H2,1-2H3/t19-,20-,23-,24-,25-,26-/m0/s1
InChIKey MJEPYXUTLZDAAP-CGZLHFDMSA-N
Molecular Weight 408.586 g/mol
SMILES N(C[C@@]1([C@@]2([C@@]([C@](CC2)(CN[C@](c2ccccc2)(C)[H])O)(CC1)[H])[H])O)[C@](c1ccccc1)(C)[H]
SPLASH splash10-0a4i-1910000000-b0327081077f4111c1f1
Source of Spectrum KD-15-775-5
Synonyms (1R,3aS,4R,6aS)-1,4-bis({[(1S)-1-phenylethyl]amino}methyl)octahydro-1,4-pentalenediol
Wiley ID 1636879