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3-[(6-AMINO-9H-PURIN-9-YL)-METHYL]-1,8-BIS-(HEXYLOXY)-ANTHRACENE-9,10-DIONE

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3-[(6-AMINO-9H-PURIN-9-YL)-METHYL]-1,8-BIS-(HEXYLOXY)-ANTHRACENE-9,10-DIONE
SpectraBase Compound ID 2M7tBkSLYpU
InChI InChI=1S/C32H37N5O4/c1-3-5-7-9-14-40-24-13-11-12-22-26(24)30(39)27-23(29(22)38)16-21(17-25(27)41-15-10-8-6-4-2)18-37-20-36-28-31(33)34-19-35-32(28)37/h11-13,16-17,19-20H,3-10,14-15,18H2,1-2H3,(H2,33,34,35)
InChIKey KZYHVYBDPMPWEP-UHFFFAOYSA-N
Mol Weight 555.7 g/mol
Molecular Formula C32H37N5O4
Exact Mass 555.284555 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DgFN82sq9uW
Name 3-[(6-AMINO-9H-PURIN-9-YL)-METHYL]-1,8-BIS-(HEXYLOXY)-ANTHRACENE-9,10-DIONE
Compound Number 9
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C32H37N5O4
InChI InChI=1S/C32H37N5O4/c1-3-5-7-9-14-40-24-13-11-12-22-26(24)30(39)27-23(29(22)38)16-21(17-25(27)41-15-10-8-6-4-2)18-37-20-36-28-31(33)34-19-35-32(28)37/h11-13,16-17,19-20H,3-10,14-15,18H2,1-2H3,(H2,33,34,35)
InChIKey KZYHVYBDPMPWEP-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 555.677 g/mol
Sample ID 2704
Solvent CDCl3