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2',3'-O-(1-METHYLETHYLIDENE)-5'-[(3-AMINO-3-CARBOXYPROPYL)-METHYLAMINO]-5'-DEOXY-ADENOSINE;SODIUM-SALT
SpectraBase Compound ID lZ1Fc8uVnW
InChI InChI=1S/C18H27N7O5.Na/c1-18(2)29-12-10(6-24(3)5-4-9(19)17(26)27)28-16(13(12)30-18)25-8-23-11-14(20)21-7-22-15(11)25;/h7-10,12-13,16H,4-6,19H2,1-3H3,(H,26,27)(H2,20,21,22);/q;+1/p-1
InChIKey LSQRHCLJBCHBCN-UHFFFAOYSA-M
Mol Weight 443.44 g/mol
Molecular Formula C18H26N7NaO5
Exact Mass 443.189311 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 27d4HndJP7J
Name 2',3'-O-(1-METHYLETHYLIDENE)-5'-[(3-AMINO-3-CARBOXYPROPYL)-METHYLAMINO]-5'-DEOXY-ADENOSINE;SODIUM-SALT
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C18H26N7NaO5
InChI InChI=1S/C18H27N7O5.Na/c1-18(2)29-12-10(6-24(3)5-4-9(19)17(26)27)28-16(13(12)30-18)25-8-23-11-14(20)21-7-22-15(11)25;/h7-10,12-13,16H,4-6,19H2,1-3H3,(H,26,27)(H2,20,21,22);/q;+1/p-1
InChIKey LSQRHCLJBCHBCN-UHFFFAOYSA-M
Literature Reference Author M.DAVIS,N.P.B.DUDMAN,H.F.WHITE
Literature Reference Citation AUSTR.J.CHEM.,36,1623(1983)
Literature Reference DOI 10.1071/ch9831623
Molecular Weight 443.438 g/mol
Solvent DMSO-D6
Source File Reference UWED3192