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(3S,6S)-3-hydroxy-3-(2-hydroxybenzyl)-1,4-dimethyl-6-[(4-nitro-1H-indol-3-yl)methyl]piperazine-2,5-quinone
SpectraBase Compound ID 8qKIG3xa9Ma
InChI InChI=1S/C22H22N4O6/c1-24-17(10-14-12-23-15-7-5-8-16(19(14)15)26(31)32)20(28)25(2)22(30,21(24)29)11-13-6-3-4-9-18(13)27/h3-9,12,17,23,27,30H,10-11H2,1-2H3/t17-,22-/m0/s1
InChIKey XNRUYCJWMXPFHD-JTSKRJEESA-N
Mol Weight 438.44 g/mol
Molecular Formula C22H22N4O6
Exact Mass 438.153934 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Fbjh0ejm4KQ
Name (3S,6S)-3-hydroxy-3-(2-hydroxybenzyl)-1,4-dimethyl-6-[(4-nitro-1H-indol-3-yl)methyl]piperazine-2,5-quinone
Compound Number 19
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H22N4O6
InChI InChI=1S/C22H22N4O6/c1-24-17(10-14-12-23-15-7-5-8-16(19(14)15)26(31)32)20(28)25(2)22(30,21(24)29)11-13-6-3-4-9-18(13)27/h3-9,12,17,23,27,30H,10-11H2,1-2H3/t17-,22-/m0/s1
InChIKey XNRUYCJWMXPFHD-JTSKRJEESA-N
Literature Reference Author R.R.KING,C.H.LAWRENCE,J.EMBLETON,L.A.CALHOUN
Literature Reference Citation PHYTOCHEM.,64,1091(2003)
Literature Reference DOI 10.1016/S0031-9422(03)00465-5
Molecular Weight 438.440 g/mol
Solvent CD3OD
Source File Reference UWKP5624