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EPI-(1S,3S,4S,8R,9R)-10,11-DIDEHYDRO-9-MESYLOXY-6'-METHOXY-CINCHONAN
SpectraBase Compound ID A4LNJ3P9dCM
InChI InChI=1S/C21H24N2O4S/c1-4-14-13-23-10-8-15(14)11-20(23)21(27-28(3,24)25)17-7-9-22-19-6-5-16(26-2)12-18(17)19/h1,5-7,9,12,14-15,20-21H,8,10-11,13H2,2-3H3/t14-,15-,20+,21-/m1/s1
InChIKey AGYDLUGXIRXKEU-SORVUCRQSA-N
Mol Weight 400.49 g/mol
Molecular Formula C21H24N2O4S
Exact Mass 400.145678 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FdKQIzymF4f
Name EPI-(1S,3S,4S,8R,9R)-10,11-DIDEHYDRO-9-MESYLOXY-6'-METHOXY-CINCHONAN
Compound Number 2-OMS
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H24N2O4S
InChI InChI=1S/C21H24N2O4S/c1-4-14-13-23-10-8-15(14)11-20(23)21(27-28(3,24)25)17-7-9-22-19-6-5-16(26-2)12-18(17)19/h1,5-7,9,12,14-15,20-21H,8,10-11,13H2,2-3H3/t14-,15-,20+,21-/m1/s1
InChIKey AGYDLUGXIRXKEU-SORVUCRQSA-N
Literature Reference Author S.ROEPER,M.H.FRANZ,R.WARTCHOW,H.M.R.HOFFMANN
Literature Reference Citation ORG.LETTERS,5,2773(2003)
Literature Reference DOI 10.1021/ol034719y
Molecular Weight 400.493 g/mol
Sample ID 31631
Solvent CDCl3