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1-(2,4,6-TRI-O-BENZOYL-3-O-BENZYL-BETA-D-ALLO-PYRANOSYL)-THYMINE
SpectraBase Compound ID vlgJqQJfiv
InChI InChI=1S/C39H34N2O10/c1-25-22-41(39(46)40-34(25)42)35-33(51-38(45)29-20-12-5-13-21-29)32(47-23-26-14-6-2-7-15-26)31(50-37(44)28-18-10-4-11-19-28)30(49-35)24-48-36(43)27-16-8-3-9-17-27/h2-22,30-33,35H,23-24H2,1H3,(H,40,42,46)/t30-,31-,32-,33-,35-/m1/s1
InChIKey AWQUAJCZRKJKIK-MRKLFBNESA-N
Mol Weight 690.7 g/mol
Molecular Formula C39H34N2O10
Exact Mass 690.221345 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JZf6NL3JdXi
Name 1-(2,4,6-TRI-O-BENZOYL-3-O-BENZYL-BETA-D-ALLO-PYRANOSYL)-THYMINE
Compound Number 7
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C39H34N2O10
InChI InChI=1S/C39H34N2O10/c1-25-22-41(39(46)40-34(25)42)35-33(51-38(45)29-20-12-5-13-21-29)32(47-23-26-14-6-2-7-15-26)31(50-37(44)28-18-10-4-11-19-28)30(49-35)24-48-36(43)27-16-8-3-9-17-27/h2-22,30-33,35H,23-24H2,1H3,(H,40,42,46)/t30-,31-,32-,33-,35-/m1/s1
InChIKey AWQUAJCZRKJKIK-MRKLFBNESA-N
Literature Reference Author K.AUGUSTYNS,J.ROZENSKI,A.VANAERSCHOT,G.JANSSEN,P.HERDEWIJN
Literature Reference Citation J.ORG.CHEM.,58,2977(1993)
Literature Reference DOI 10.1021/jo00063a013
Molecular Weight 690.706 g/mol
Solvent CDCl3
Source File Reference UWRU759