John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=EL2RnOiB0R4 SpectraBase Spectrum ID=2AxQyuJ0YwG

(accessed ).
1-[2'-DEOXY-5'-O-(4,4'-DIMETHOXYTRIPHENYLMETHYL)-BETA-D-THREO-PENTOFURANOSYL]-THYMINE-3'-(TRIETHYLAMMONIUM-PHOSPHONATE)
SpectraBase Compound ID EL2RnOiB0R4
InChI InChI=1S/C31H33N2O9P.C6H15N/c1-20-18-33(30(35)32-29(20)34)28-17-26(42-43(36)37)27(41-28)19-40-31(21-7-5-4-6-8-21,22-9-13-24(38-2)14-10-22)23-11-15-25(39-3)16-12-23;1-4-7(5-2)6-3/h4-16,18,26-28,43H,17,19H2,1-3H3,(H,36,37)(H,32,34,35);4-6H2,1-3H3/t26-,27-,28-;/m0./s1
InChIKey YUFCDSCMPYDLEI-JAQKLANPSA-N
Mol Weight 709.8 g/mol
Molecular Formula C37H48N3O9P
Exact Mass 709.312819 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2AxQyuJ0YwG
Name 1-[2'-DEOXY-5'-O-(4,4'-DIMETHOXYTRIPHENYLMETHYL)-BETA-D-THREO-PENTOFURANOSYL]-THYMINE-3'-(TRIETHYLAMMONIUM-PHOSPHONATE)
Compound Number 3B
Copyright Copyright © 2016-2021 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C37H48N3O9P
InChI InChI=1S/C31H33N2O9P.C6H15N/c1-20-18-33(30(35)32-29(20)34)28-17-26(42-43(36)37)27(41-28)19-40-31(21-7-5-4-6-8-21,22-9-13-24(38-2)14-10-22)23-11-15-25(39-3)16-12-23;1-4-7(5-2)6-3/h4-16,18,26-28,43H,17,19H2,1-3H3,(H,36,37)(H,32,34,35);4-6H2,1-3H3/t26-,27-,28-;/m0./s1
InChIKey YUFCDSCMPYDLEI-JAQKLANPSA-N
Literature Reference Author H.ROSEMEYER,F.SEELA
Literature Reference Citation HELV.CHIM.ACTA,74,748(1991)
Literature Reference DOI 10.1002/hlca.19910740408
Molecular Weight 709.777 g/mol
Solvent DMSO-D6
Source File Reference UWVP5486
SpectraBase Batch ID JjYt3pxu1JS