John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=JKEqKdD7TEM SpectraBase Spectrum ID=11t1dTViNxQ

(accessed ).
1-BETA-[2-CYANO-2-(ETHOXYCARBONYL)-1,3-DIHYDRO-2H-INDEN-5-YL]-1,2-DIDEOXY-3,5-DI-O-(4-TOLUOYL)]-D-RIBOFURANOSIDE
SpectraBase Compound ID JKEqKdD7TEM
InChI InChI=1S/2C34H33NO7/c2*1-4-39-33(38)34(20-35)17-26-14-13-25(15-27(26)18-34)28-16-29(42-32(37)24-11-7-22(3)8-12-24)30(41-28)19-40-31(36)23-9-5-21(2)6-10-23/h2*5-15,28-30H,4,16-19H2,1-3H3/t28-,29+,30-,34+;28-,29+,30-,34-/m11/s1
InChIKey PXBIOOKMHDHLNJ-JBEXWZKGSA-N
Mol Weight 1135.3 g/mol
Molecular Formula C68H66N2O14
Exact Mass 1134.451405 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 11t1dTViNxQ
Name 1-BETA-[2-CYANO-2-(ETHOXYCARBONYL)-1,3-DIHYDRO-2H-INDEN-5-YL]-1,2-DIDEOXY-3,5-DI-O-(4-TOLUOYL)]-D-RIBOFURANOSIDE
Compound Number 3-BETA-D
Copyright Copyright © 2016-2020 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C68H66N2O14
InChI InChI=1S/2C34H33NO7/c2*1-4-39-33(38)34(20-35)17-26-14-13-25(15-27(26)18-34)28-16-29(42-32(37)24-11-7-22(3)8-12-24)30(41-28)19-40-31(36)23-9-5-21(2)6-10-23/h2*5-15,28-30H,4,16-19H2,1-3H3/t28-,29+,30-,34+;28-,29+,30-,34-/m11/s1
InChIKey PXBIOOKMHDHLNJ-JBEXWZKGSA-N
Literature Reference Author P.NOVAK,R.POHL,M.KOTORA,M.HOCEK
Literature Reference Citation ORG.LETTERS,8,2051(2006)
Literature Reference DOI 10.1021/ol060454m
Molecular Weight 1135.277 g/mol
Sample ID 59709
Solvent C6D6
SpectraBase Batch ID 8VXcTk3BKOI