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2,2-DIMETHYL-5-[N-[2-(DIMETHYLAMINO)-ETHYL]-AMINO]-12-[N-[2-[(2-HYDROXYETHYL)-AMINO]-ETHYL]-AMINO]-2H-ANTHRA-[2,3-B]-PYRAN-6,11-DIONE

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2,2-DIMETHYL-5-[N-[2-(DIMETHYLAMINO)-ETHYL]-AMINO]-12-[N-[2-[(2-HYDROXYETHYL)-AMINO]-ETHYL]-AMINO]-2H-ANTHRA-[2,3-B]-PYRAN-6,11-DIONE
SpectraBase Compound ID HNeF8FZzime
InChI InChI=1S/C27H34N4O4/c1-27(2)10-9-19-22(30-13-15-31(3)4)20-21(23(26(19)35-27)29-12-11-28-14-16-32)25(34)18-8-6-5-7-17(18)24(20)33/h5-10,28-30,32H,11-16H2,1-4H3
InChIKey QGKLIMUBKLJCGF-UHFFFAOYSA-N
Mol Weight 478.6 g/mol
Molecular Formula C27H34N4O4
Exact Mass 478.258006 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AWNdBbJJs6q
Name 2,2-DIMETHYL-5-[N-[2-(DIMETHYLAMINO)-ETHYL]-AMINO]-12-[N-[2-[(2-HYDROXYETHYL)-AMINO]-ETHYL]-AMINO]-2H-ANTHRA-[2,3-B]-PYRAN-6,11-DIONE
Compound Number 22
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C27H34N4O4
InChI InChI=1S/C27H34N4O4/c1-27(2)10-9-19-22(30-13-15-31(3)4)20-21(23(26(19)35-27)29-12-11-28-14-16-32)25(34)18-8-6-5-7-17(18)24(20)33/h5-10,28-30,32H,11-16H2,1-4H3
InChIKey QGKLIMUBKLJCGF-UHFFFAOYSA-N
Literature Reference Author E.MELLIOU,P.MAGIATIS,S.MITAKU,A.L.SKALTSOUNIS,A.PIERRE,G.ATA SSI,P.RENARD
Literature Reference Citation BIOORG.MED.CHEM.,9,607(2001)
Literature Reference DOI 10.1016/S0968-0896(00)00278-9
Molecular Weight 478.591 g/mol
Solvent CDCl3
Source File Reference UWLU21822