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1-[2-DEOXY-5-O-(4,4'-DIMETHOXYTRITYL)-3-C-(3-PHTHALIMIDOPROPYL)-ALPHA-D-ERYTHRO-PENTOFURANOSYL]-THYMINE
SpectraBase Compound ID 2xPMh5B4iTa
InChI InChI=1S/C42H41N3O9/c1-27-25-45(40(49)43-37(27)46)36-24-41(50,22-9-23-44-38(47)33-12-7-8-13-34(33)39(44)48)35(54-36)26-53-42(28-10-5-4-6-11-28,29-14-18-31(51-2)19-15-29)30-16-20-32(52-3)21-17-30/h4-8,10-21,25,35-36,50H,9,22-24,26H2,1-3H3,(H,43,46,49)/t35-,36+,41+/m1/s1
InChIKey BDJQBYYEWOCFRO-YBCDPXEJSA-N
Mol Weight 731.8 g/mol
Molecular Formula C42H41N3O9
Exact Mass 731.28428 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 25oxgjSAPIY
Name 1-[2-DEOXY-5-O-(4,4'-DIMETHOXYTRITYL)-3-C-(3-PHTHALIMIDOPROPYL)-BETA-D-ERYTHRO-PENTOFURANOSYL]-THYMINE
Compound Number 25
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C42H41N3O9
InChI InChI=1S/C42H41N3O9/c1-27-25-45(40(49)43-37(27)46)36-24-41(50,22-9-23-44-38(47)33-12-7-8-13-34(33)39(44)48)35(54-36)26-53-42(28-10-5-4-6-11-28,29-14-18-31(51-2)19-15-29)30-16-20-32(52-3)21-17-30/h4-8,10-21,25,35-36,50H,9,22-24,26H2,1-3H3,(H,43,46,49)/t35-,36+,41+/m1/s1
InChIKey BDJQBYYEWOCFRO-YBCDPXEJSA-N
Literature Reference Author P.N.JORGENSEN,U.S.SORENSEN,H.M.PFUNDHELLER,C.E.OLSEN,J.WENGE L
Literature Reference Citation J.CHEM.SOC.PERKIN-1,3275(1997)
Literature Reference DOI 10.1039/a703173d
Molecular Weight 731.802 g/mol
Solvent CDCl3
Source File Reference UWRU7226