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

View entire compound with spectra: 1 MS (GC)

(1S,2S,5S,6S,1'R,2''R)-2,6-Bis(1-phenylethylaminomethyl)bicyclo[3.3.0]octan-2,6-diol
SpectraBase Compound ID IE40Ht5oGgx
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-/m1/s1
InChIKey MJEPYXUTLZDAAP-VVMDDORESA-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 DgT7SsO8Bar
Name (1S,2S,5S,6S,1'R,2''R)-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-/m1/s1
InChIKey MJEPYXUTLZDAAP-VVMDDORESA-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-0920000000-0db9f86bffe3ab3d3cd6
Source of Spectrum KD-15-775-4
Synonyms (1S,3aS,4S,6aS)-1,4-bis({[(1R)-1-phenylethyl]amino}methyl)octahydro-1,4-pentalenediol
Wiley ID 1636880