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1-[2,3,6-TRI-O-ACETYL-4-DEOXY-4-C-HYDROXYMETHYL-ALPHA-L-LYXOPYRANOSYL]-THYMINE
SpectraBase Compound ID A3Z098d3OK
InChI InChI=1S/C17H22N2O9/c1-8-5-19(17(24)18-15(8)23)16-14(28-11(4)22)13(27-10(3)21)12(7-26-16)6-25-9(2)20/h5,12-14,16H,6-7H2,1-4H3,(H,18,23,24)/t12-,13+,14+,16+/m1/s1
InChIKey DHQNCNQHIWKING-HOSILWTGSA-N
Mol Weight 398.37 g/mol
Molecular Formula C17H22N2O9
Exact Mass 398.13253 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KXPBv75Vqxl
Name 1-[2,3,6-TRI-O-ACETYL-4-DEOXY-4-C-HYDROXYMETHYL-ALPHA-L-LYXOPYRANOSYL]-THYMINE
Compound Number 22
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C17H22N2O9
InChI InChI=1S/C17H22N2O9/c1-8-5-19(17(24)18-15(8)23)16-14(28-11(4)22)13(27-10(3)21)12(7-26-16)6-25-9(2)20/h5,12-14,16H,6-7H2,1-4H3,(H,18,23,24)/t12-,13+,14+,16+/m1/s1
InChIKey DHQNCNQHIWKING-HOSILWTGSA-N
Literature Reference Author V.VANHEUSDEN,R.BUSSON,P.HERDEWIJN,S.V.CALENBERGH
Literature Reference Citation J.ORG.CHEM.,69,4446(2004)
Literature Reference DOI 10.1021/jo040130g
Molecular Weight 398.370 g/mol
Solvent DMSO-D6
Source File Reference UWVN21740