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6-(DIMETHYLAMINO)-9-{(3'S,5'R)-(2S-AMINO-3-[4-METHOXYPHENYL]-PROPANOYL)-5'-(HYDROXYMETHYL)-PIPERIDIN-3'-YL}-PURINE;DIASTEREOMER-1

View entire compound with spectra: 2 NMR

6-(DIMETHYLAMINO)-9-{(3'S,5'R)-(2S-AMINO-3-[4-METHOXYPHENYL]-PROPANOYL)-5'-(HYDROXYMETHYL)-PIPERIDIN-3'-YL}-PURINE;DIASTEREOMER-1
SpectraBase Compound ID 9UxTqbDsg6E
InChI InChI=1S/C23H31N7O3/c1-28(2)21-20-22(26-13-25-21)30(14-27-20)17-8-16(12-31)10-29(11-17)23(32)19(24)9-15-4-6-18(33-3)7-5-15/h4-7,13-14,16-17,19,31H,8-12,24H2,1-3H3/t16-,17+,19-/m1/s1
InChIKey PYQCJOXAAHXMRG-ZIFCJYIRSA-N
Mol Weight 453.55 g/mol
Molecular Formula C23H31N7O3
Exact Mass 453.248838 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CpGNyva70Gv
Name 6-(DIMETHYLAMINO)-9-{(3'S,5'R)-(2S-AMINO-3-[4-METHOXYPHENYL]-PROPANOYL)-5'-(HYDROXYMETHYL)-PIPERIDIN-3'-YL}-PURINE;DIASTEREOMER-1
Compound Number 21A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C23H31N7O3
InChI InChI=1S/C23H31N7O3/c1-28(2)21-20-22(26-13-25-21)30(14-27-20)17-8-16(12-31)10-29(11-17)23(32)19(24)9-15-4-6-18(33-3)7-5-15/h4-7,13-14,16-17,19,31H,8-12,24H2,1-3H3/t16-,17+,19-/m1/s1
InChIKey PYQCJOXAAHXMRG-ZIFCJYIRSA-N
Literature Reference Author P.G.HULTIN,W.A.SZAREK
Literature Reference Citation CAN.J.CHEM.,72,1978(1994)
Literature Reference DOI 10.1139/v94-253
Molecular Weight 453.544 g/mol
Solvent DMSO-D6
Source File Reference UWPR1608