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(-)-(7R,13S)-2,3,9,10-TETRAHYDROXY-N-METHYLDIBENZOPYRROCOLINIUM-BrOMIDE
SpectraBase Compound ID 4m61hoE0gHU
InChI InChI=1S/C17H17NO4.BrH/c1-18-3-2-9-5-14(19)16(21)7-11(9)13(18)4-10-6-15(20)17(22)8-12(10)18;/h5-8,13H,2-4H2,1H3,(H3-,19,20,21,22);1H/t13-,18?;/m1./s1
InChIKey ILDDZMBKZRTGOD-VCJQCBJBSA-N
Mol Weight 380.24 g/mol
Molecular Formula C17H18BrNO4
Exact Mass 379.041921 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IdRXTaVjWwg
Name (-)-(7R,13S)-2,3,9,10-TETRAHYDROXY-N-METHYLDIBENZOPYRROCOLINIUM-BrOMIDE
Compound Number 4
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C17H18BrNO4
InChI InChI=1S/C17H17NO4.BrH/c1-18-3-2-9-5-14(19)16(21)7-11(9)13(18)4-10-6-15(20)17(22)8-12(10)18;/h5-8,13H,2-4H2,1H3,(H3-,19,20,21,22);1H/t13-,18?;/m1./s1
InChIKey ILDDZMBKZRTGOD-VCJQCBJBSA-N
Literature Reference Author S.S.LEE,C.K.CHEN,F.M.HUANG,C.H.CHEN
Literature Reference Citation J.NAT.PROD.,59,80(1996)
Literature Reference DOI 10.1021/np960014b
Molecular Weight 380.238 g/mol
Solvent CD3OD
Source File Reference UWVP2531