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CTYGPXKCJABMNB-UHFFFAOYSA-N
SpectraBase Compound ID EYKouHfNOj
InChI InChI=1S/C31H30N8O8/c1-31(30(43)47-5)26(41)20-19-14(9-38-12-35-27(32)23-28(38)34-11-33-23)10-39(16(19)8-17(40)22(20)37-31)29(42)15-6-13-7-18(44-2)24(45-3)25(46-4)21(13)36-15/h6-8,11-12,14,36-37,40H,9-10,32H2,1-5H3
InChIKey CTYGPXKCJABMNB-UHFFFAOYSA-N
Mol Weight 642.63 g/mol
Molecular Formula C31H30N8O8
Exact Mass 642.21866 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LO9zeJGxN5D
Name ADENINE-DUOCARMYCIN-A-ADDUCT
Compound Number 7
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C31H30N8O8
InChI InChI=1S/C31H30N8O8/c1-31(30(43)47-5)26(41)20-19-14(9-38-12-35-27(32)23-28(38)34-11-33-23)10-39(16(19)8-17(40)22(20)37-31)29(42)15-6-13-7-18(44-2)24(45-3)25(46-4)21(13)36-15/h6-8,11-12,14,36-37,40H,9-10,32H2,1-5H3
InChIKey CTYGPXKCJABMNB-UHFFFAOYSA-N
Literature Reference Author D.L.BOGNER,D.S.JOHNSON,W.YUN
Literature Reference Citation J.AM.CHEM.SOC.,116,1635(1994)
Literature Reference DOI 10.1021/ja00084a004
Molecular Weight 642.628 g/mol
Solvent CD3OD
Source File Reference UWRU7002