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1-[5-O-(4,4'-DIMETHOXYTRITYL)-3-C-(ETHANOYL)-3-O-(TRIETHYLAMMONIUMPHOSPHONYL)-2-DEOXY-BETA-D-THREO-PENTOFURANOSYL]-THYMINE
SpectraBase Compound ID AN6KQg4cP74
InChI InChI=1S/2C33H35N2O10P.2C6H15N/c2*1-21-19-35(31(38)34-30(21)37)29-18-32(22(2)36,45-46(39)40)28(44-29)20-43-33(23-8-6-5-7-9-23,24-10-14-26(41-3)15-11-24)25-12-16-27(42-4)17-13-25;2*1-4-7(5-2)6-3/h2*5-17,19,28-29,46H,18,20H2,1-4H3,(H,39,40)(H,34,37,38);2*4-6H2,1-3H3/t2*28-,29-,32+;;/m00../s1
InChIKey ACOSFPGWSRXLAU-NEOHMSNFSA-N
Mol Weight 1503.63 g/mol
Molecular Formula C78H100N6O20P2
Exact Mass 1502.646764 g/mol

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID F1Yu5uzqkZj
Name 1-[5-O-(4,4'-DIMETHOXYTRITYL)-3-C-(ETHANOYL)-3-O-(TRIETHYLAMMONIUMPHOSPHONYL)-2-DEOXY-BETA-D-THREO-PENTOFURANOSYL]-THYMINE
Compound Number 10
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C78H98N6O20P2
InChI InChI=1S/2C33H35N2O10P.2C6H15N/c2*1-21-19-35(31(38)34-30(21)37)29-18-32(22(2)36,45-46(39)40)28(44-29)20-43-33(23-8-6-5-7-9-23,24-10-14-26(41-3)15-11-24)25-12-16-27(42-4)17-13-25;2*1-4-7(5-2)6-3/h2*5-17,19,28-29,46H,18,20H2,1-4H3,(H,39,40)(H,34,37,38);2*4-6H2,1-3H3/t2*28-,29-,32+;;/m00../s1
InChIKey ACOSFPGWSRXLAU-NEOHMSNFSA-N
Literature Reference Author A.C.BRYANT-FRIEDRICH
Literature Reference Citation ORG.LETTERS,6,2329(2004)
Literature Reference DOI 10.1021/ol0493453
Solvent CDCl3
Source File Reference UWLU52398