John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=BcjwrSIU6K2 SpectraBase Spectrum ID=2B9pbzDL8Bz

(accessed ).
1-[3-C-ALLYL-2-DEOXY-5-O-(4,4'-DIMETHOXYTRITYL)-BETA-D-ERYTHRO-PENTOFURANOSYL]-THYMINE
SpectraBase Compound ID BcjwrSIU6K2
InChI InChI=1S/2C34H36N2O7/c2*1-5-19-33(39)20-30(36-21-23(2)31(37)35-32(36)38)43-29(33)22-42-34(24-9-7-6-8-10-24,25-11-15-27(40-3)16-12-25)26-13-17-28(41-4)18-14-26/h2*5-18,21,29-30,39H,1,19-20,22H2,2-4H3,(H,35,37,38)/t2*29-,30-,33+/m11/s1
InChIKey BHASQAMQSJQEOL-BXYIEOMLSA-N
Mol Weight 1169.3 g/mol
Molecular Formula C68H72N4O14
Exact Mass 1168.504504 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2B9pbzDL8Bz
Name 1-[3-C-ALLYL-2-DEOXY-5-O-(4,4'-DIMETHOXYTRITYL)-BETA-D-ERYTHRO-PENTOFURANOSYL]-THYMINE
Compound Number 15A
Copyright Copyright © 2016-2021 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C68H72N4O14
InChI InChI=1S/2C34H36N2O7/c2*1-5-19-33(39)20-30(36-21-23(2)31(37)35-32(36)38)43-29(33)22-42-34(24-9-7-6-8-10-24,25-11-15-27(40-3)16-12-25)26-13-17-28(41-4)18-14-26/h2*5-18,21,29-30,39H,1,19-20,22H2,2-4H3,(H,35,37,38)/t2*29-,30-,33+/m11/s1
InChIKey BHASQAMQSJQEOL-BXYIEOMLSA-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 1169.338 g/mol
Solvent CDCl3
Source File Reference UWRU7213
SpectraBase Batch ID BxkVwGyLYC2