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(2R*,3S*,4AR*,5R*,8AS*)-DECAHYDRO-3-HYDROXY-5-(5'-HYDROXYOCTYL)-2-METHYLQUINOLINIUM
SpectraBase Compound ID 3WqP0xhUpWG
InChI InChI=1S/C18H35NO2/c1-3-7-15(20)10-5-4-8-14-9-6-11-17-16(14)12-18(21)13(2)19-17/h13-21H,3-12H2,1-2H3/p+1/t13-,14-,15?,16-,17+,18+/m1/s1
InChIKey LNSIIDDYOVTXHK-WVDLQDBSSA-O
Mol Weight 298.5 g/mol
Molecular Formula C18H36NO2
Exact Mass 298.274604 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6AWMOyjW70L
Name (2R*,3S*,4AR*,5R*,8AS*)-DECAHYDRO-3-HYDROXY-5-(5'-HYDROXYOCTYL)-2-METHYLQUINOLINIUM
Compound Number 2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C18H36NO2
InChI InChI=1S/C18H35NO2/c1-3-7-15(20)10-5-4-8-14-9-6-11-17-16(14)12-18(21)13(2)19-17/h13-21H,3-12H2,1-2H3/p+1/t13-,14-,15?,16-,17+,18+/m1/s1
InChIKey LNSIIDDYOVTXHK-WVDLQDBSSA-O
Literature Reference Author A.D.WRIGHT,E.GOCLIK,G.M.KOENIG,R.KAMINSKY
Literature Reference Citation J.MED.CHEM.,45,3067(2002)
Literature Reference DOI 10.1021/jm0110892
Molecular Weight 298.489 g/mol
Sample ID 64460
Solvent CD3OD