John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=3dIQWbJHQra SpectraBase Spectrum ID=8kDA78zj9uy

(accessed ).
(1S,3S,4S)-9-(3-HYDROXY-4-[(4,4'-DIMETHOXYTRITYL)-OXY]-CYClOPENT-1-YL)-9H-ADENINE
SpectraBase Compound ID 3dIQWbJHQra
InChI InChI=1S/C31H31N5O4/c1-38-24-12-8-21(9-13-24)31(20-6-4-3-5-7-20,22-10-14-25(39-2)15-11-22)40-27-17-23(16-26(27)37)36-19-35-28-29(32)33-18-34-30(28)36/h3-15,18-19,23,26-27,37H,16-17H2,1-2H3,(H2,32,33,34)/t23-,26-,27-/m0/s1
InChIKey FCSGEGFTCIGMBB-YGPDHOBYSA-N
Mol Weight 537.62 g/mol
Molecular Formula C31H31N5O4
Exact Mass 537.237605 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8kDA78zj9uy
Name (1S,3S,4S)-9-(3-HYDROXY-4-[(4,4'-DIMETHOXYTRITYL)-OXY]-CYClOPENT-1-YL)-9H-ADENINE
Compound Number 8
Copyright Copyright © 2016-2021 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C31H31N5O4
InChI InChI=1S/C31H31N5O4/c1-38-24-12-8-21(9-13-24)31(20-6-4-3-5-7-20,22-10-14-25(39-2)15-11-22)40-27-17-23(16-26(27)37)36-19-35-28-29(32)33-18-34-30(28)36/h3-15,18-19,23,26-27,37H,16-17H2,1-2H3,(H2,32,33,34)/t23-,26-,27-/m0/s1
InChIKey FCSGEGFTCIGMBB-YGPDHOBYSA-N
Literature Reference Author M.KOGA,S.W.SCHNELLER
Literature Reference Citation J.ORG.CHEM.,58,6471(1993)
Literature Reference DOI 10.1021/jo00075a052
Molecular Weight 537.618 g/mol
Solvent CDCl3
Source File Reference UWCS19416
SpectraBase Batch ID 7JGjgOxe9GM