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rel-11-((2R,5S,6S)-5-acetoxy-1-acetyl-6-methylpiperidin-2-yl)-1-(1-methylpyrrolidin-2-yl)undecyl acetate
SpectraBase Compound ID CCMq2zmkWHv
InChI InChI=1S/C28H50N2O5/c1-21-27(34-23(3)32)19-18-25(30(21)22(2)31)15-12-10-8-6-7-9-11-13-17-28(35-24(4)33)26-16-14-20-29(26)5/h21,25-28H,6-20H2,1-5H3/t21-,25+,26?,27-,28?/m0/s1
InChIKey ONMIGNMEYPQERB-YPPWHEEVSA-N
Mol Weight 494.7 g/mol
Molecular Formula C28H50N2O5
Exact Mass 494.371973 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KMEu8mNwPHw
Name rel-11-((2R,5S,6S)-5-acetoxy-1-acetyl-6-methylpiperidin-2-yl)-1-(1-methylpyrrolidin-2-yl)undecyl acetate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H50N2O5
InChI InChI=1S/C28H50N2O5/c1-21-27(34-23(3)32)19-18-25(30(21)22(2)31)15-12-10-8-6-7-9-11-13-17-28(35-24(4)33)26-16-14-20-29(26)5/h21,25-28H,6-20H2,1-5H3/t21-,25+,26?,27-,28?/m0/s1
InChIKey ONMIGNMEYPQERB-YPPWHEEVSA-N
Literature Reference DOI 10.1002/hlca.19800630738
Molecular Weight 494.717 g/mol
SMILES C(CCCCCCCC[C@]1(N(C(=O)C)[C@]([C@@](OC(C)=O)(CC1)[H])(C)[H])[H])CC(C1CCCN1C)OC(C)=O
SPLASH splash10-001i-9300000000-0337618379205e5c1a60
Source of Spectrum H-63-2129-19
Synonyms 11-((2R,5S,6S)-5-acetoxy-1-acetyl-6-methylpiperidin-2-yl)-1-(1-methylpyrrolidin-2-yl)undecyl acetate
Wiley ID 1797517