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[5S,6R,8S]-8-(Benzyl)amino-5-benzyloxy-6-hydroxy-12-tridecene
SpectraBase Compound ID ADfFKKrHRcQ
InChI InChI=1S/C27H39NO2/c1-3-5-9-18-25(28-21-23-14-10-7-11-15-23)20-26(29)27(19-6-4-2)30-22-24-16-12-8-13-17-24/h3,7-8,10-17,25-29H,1,4-6,9,18-22H2,2H3/t25-,26+,27-/m0/s1
InChIKey RJRBRGMXUNDHSI-VJGNERBWSA-N
Mol Weight 409.6 g/mol
Molecular Formula C27H39NO2
Exact Mass 409.298079 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HIdxIykStle
Name [5S,6R,8S]-8-(Benzyl)amino-5-benzyloxy-6-hydroxy-12-tridecene
Alternate Name(s) (5S,6R,8S)-8-(benzylamino)-5-(benzyloxy)-12-tridecen-6-ol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H39NO2
InChI InChI=1S/C27H39NO2/c1-3-5-9-18-25(28-21-23-14-10-7-11-15-23)20-26(29)27(19-6-4-2)30-22-24-16-12-8-13-17-24/h3,7-8,10-17,25-29H,1,4-6,9,18-22H2,2H3/t25-,26+,27-/m0/s1
InChIKey RJRBRGMXUNDHSI-VJGNERBWSA-N
Molecular Weight 409.614 g/mol
SMILES O[C@](C[C@@](NCc1ccccc1)(CCCC=C)[H])([C@@](OCc1ccccc1)(CCCC)[H])[H]
SPLASH splash10-0006-9612000000-e0999b3b2dbf12f46ad0
Source of Spectrum F-47-9342-16
Wiley ID 1373403