For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
(3R,6S)-3-hydroxy-3-(2-hydroxybenzoyl)-1,4-dimethyl-6-[(4-nitro-1H-indol-3-yl)methyl]piperazine-2,5-quinone
SpectraBase Compound ID FHEpdl31Q8y
InChI InChI=1S/C22H20N4O7/c1-24-16(10-12-11-23-14-7-5-8-15(18(12)14)26(32)33)20(29)25(2)22(31,21(24)30)19(28)13-6-3-4-9-17(13)27/h3-9,11,16,23,27,31H,10H2,1-2H3/t16-,22+/m0/s1
InChIKey RSXKOQCXGUIAAD-KSFYIVLOSA-N
Mol Weight 452.42 g/mol
Molecular Formula C22H20N4O7
Exact Mass 452.133199 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID ApUnRPwcEtD
Name (3R,6S)-3-hydroxy-3-(2-hydroxybenzoyl)-1,4-dimethyl-6-[(4-nitro-1H-indol-3-yl)methyl]piperazine-2,5-quinone
Compound Number 20
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H20N4O7
InChI InChI=1S/C22H20N4O7/c1-24-16(10-12-11-23-14-7-5-8-15(18(12)14)26(32)33)20(29)25(2)22(31,21(24)30)19(28)13-6-3-4-9-17(13)27/h3-9,11,16,23,27,31H,10H2,1-2H3/t16-,22+/m0/s1
InChIKey RSXKOQCXGUIAAD-KSFYIVLOSA-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 452.423 g/mol
Solvent ACETONE-D6
Source File Reference UWKP5625