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3-[(6-AMINO-9H-PURIN-9-YL)-METHYL]-1,8-DIHYDROXY-ANTHRACENE-9,10-DIONE
SpectraBase Compound ID Lx36EQdx07V
InChI InChI=1S/C20H13N5O4/c21-19-16-20(23-7-22-19)25(8-24-16)6-9-4-11-15(13(27)5-9)18(29)14-10(17(11)28)2-1-3-12(14)26/h1-5,7-8,26-27H,6H2,(H2,21,22,23)
InChIKey NVOKEWPMAWELFN-UHFFFAOYSA-N
Mol Weight 387.36 g/mol
Molecular Formula C20H13N5O4
Exact Mass 387.096754 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5377SxdY5yn
Name 3-[(6-AMINO-9H-PURIN-9-YL)-METHYL]-1,8-DIHYDROXY-ANTHRACENE-9,10-DIONE
Compound Number 14
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C20H13N5O4
InChI InChI=1S/C20H13N5O4/c21-19-16-20(23-7-22-19)25(8-24-16)6-9-4-11-15(13(27)5-9)18(29)14-10(17(11)28)2-1-3-12(14)26/h1-5,7-8,26-27H,6H2,(H2,21,22,23)
InChIKey NVOKEWPMAWELFN-UHFFFAOYSA-N
Literature Reference Author X.R.CUI,R.SAITO,T.KUBO,D.KON,Y.HIRANO,S.SAITO
Literature Reference Citation CHEM.PHARM.BULL.,59,302(2011)
Literature Reference DOI 10.1248/cpb.59.302
Molecular Weight 387.354 g/mol
Sample ID 2708
Solvent DMSO-D6