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1-(4-C-ACETOXYMETHYL-3-C-ALLYL-3-O-BENZYL-2,5-DI-O-ACETYL-BETA-D-ERYTHROPENTOFURANOSYL)-THYMINE
SpectraBase Compound ID 6Mh0lSoE96K
InChI InChI=1S/2C27H32N2O10/c2*1-6-12-27(37-14-21-10-8-7-9-11-21)22(38-20(5)32)24(29-13-17(2)23(33)28-25(29)34)39-26(27,15-35-18(3)30)16-36-19(4)31/h2*6-11,13,22,24H,1,12,14-16H2,2-5H3,(H,28,33,34)/t2*22-,24+,27-/m11/s1
InChIKey CCUAQCQVWSATAI-VJEKFZCXSA-N
Mol Weight 1089.1 g/mol
Molecular Formula C54H64N4O20
Exact Mass 1088.41139 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IC4cABHEyTn
Name 1-(4-C-ACETOXYMETHYL-3-C-ALLYL-3-O-BENZYL-2,5-DI-O-ACETYL-BETA-D-ERYTHROPENTOFURANOSYL)-THYMINE
Compound Number 9
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C54H64N4O20
InChI InChI=1S/2C27H32N2O10/c2*1-6-12-27(37-14-21-10-8-7-9-11-21)22(38-20(5)32)24(29-13-17(2)23(33)28-25(29)34)39-26(27,15-35-18(3)30)16-36-19(4)31/h2*6-11,13,22,24H,1,12,14-16H2,2-5H3,(H,28,33,34)/t2*22-,24+,27-/m11/s1
InChIKey CCUAQCQVWSATAI-VJEKFZCXSA-N
Literature Reference Author M.MELDGAARD,F.G.HANSEN,J.WENGEL
Literature Reference Citation J.ORG.CHEM.,69,6310(2004)
Literature Reference DOI 10.1021/jo049159a
Molecular Weight 1089.117 g/mol
Solvent CDCl3
Source File Reference UWVN22404