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rel-12-((2R,5S,6S)-5-acetoxy-1-acetyl-6-methylpiperidin-2-yl)dodecane-1,2-diyl diacetate
SpectraBase Compound ID 4fW7BxmPUlL
InChI InChI=1S/C26H45NO7/c1-19-26(34-23(5)31)17-16-24(27(19)20(2)28)14-12-10-8-6-7-9-11-13-15-25(33-22(4)30)18-32-21(3)29/h19,24-26H,6-18H2,1-5H3/t19-,24+,25?,26-/m0/s1
InChIKey NDABQFIGFFZMFB-SDYPVDFZSA-N
Mol Weight 483.6 g/mol
Molecular Formula C26H45NO7
Exact Mass 483.319603 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8kKxBsuvBLH
Name rel-12-((2R,5S,6S)-5-acetoxy-1-acetyl-6-methylpiperidin-2-yl)dodecane-1,2-diyl diacetate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H45NO7
InChI InChI=1S/C26H45NO7/c1-19-26(34-23(5)31)17-16-24(27(19)20(2)28)14-12-10-8-6-7-9-11-13-15-25(33-22(4)30)18-32-21(3)29/h19,24-26H,6-18H2,1-5H3/t19-,24+,25?,26-/m0/s1
InChIKey NDABQFIGFFZMFB-SDYPVDFZSA-N
Literature Reference DOI 10.1002/hlca.19800630738
Molecular Weight 483.646 g/mol
SMILES C(CCCCCCCCC[C@@]1(CC[C@@]([C@@](N1C(=O)C)(C)[H])(OC(C)=O)[H])[H])C(OC(C)=O)COC(C)=O
SPLASH splash10-0006-9400000000-1407869197a76b5568e8
Source of Spectrum H-63-2129-17
Synonyms 12-((2R,5S,6S)-5-acetoxy-1-acetyl-6-methylpiperidin-2-yl)dodecane-1,2-diyl diacetate
Wiley ID 1797515