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CASSININE
SpectraBase Compound ID 2JT3OrBVqkq
InChI InChI=1S/C20H39NO2/c1-17(22)13-11-9-7-5-3-4-6-8-10-12-14-19-15-16-20(23)18(2)21-19/h18-21,23H,3-16H2,1-2H3/t18-,19+,20-/m1/s1
InChIKey SMOKZFNZPZHGMX-HSALFYBXSA-N
Mol Weight 325.5 g/mol
Molecular Formula C20H39NO2
Exact Mass 325.298079 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LSKLioh4R3N
Name (-)-Spectaline
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H39NO2
InChI InChI=1S/C20H39NO2/c1-17(22)13-11-9-7-5-3-4-6-8-10-12-14-19-15-16-20(23)18(2)21-19/h18-21,23H,3-16H2,1-2H3/t18-,19+,20-/m1/s1
InChIKey SMOKZFNZPZHGMX-HSALFYBXSA-N
Literature Reference DOI 10.1002/rcm.8172
Molecular Weight 325.537 g/mol
SMILES N1[C@](CC[C@]([C@]1(C)[H])(O)[H])(CCCCCCCCCCCCC(=O)C)[H]
SPLASH splash10-03di-7900000000-9510dea74948681be198
Source of Spectrum RCM-32-1307-2
Synonyms 14-((2S,5R,6R)-5-hydroxy-6-methylpiperidin-2-yl)tetradecan-2-one
Wiley ID 1813839