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3'-C-ACETOXYMETHYL-3'-O-ACETYL-5-O-(4-PHEHYLBENZOYL)-THYMIDINE
SpectraBase Compound ID qqdv0v9nhK
InChI InChI=1S/C28H28N2O9/c1-17-14-30(27(35)29-25(17)33)24-13-28(39-19(3)32,16-37-18(2)31)23(38-24)15-36-26(34)22-11-9-21(10-12-22)20-7-5-4-6-8-20/h4-12,14,23-24H,13,15-16H2,1-3H3,(H,29,33,35)/t23-,24-,28-/m0/s1
InChIKey WXOVQSYECSLYRK-QONNDPFASA-N
Mol Weight 536.54 g/mol
Molecular Formula C28H28N2O9
Exact Mass 536.17948 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6vDhPqzz8ja
Name 3'-C-ACETOXYMETHYL-3'-O-ACETYL-5-O-(4-PHEHYLBENZOYL)-THYMIDINE
Compound Number 12-A-MAJOR-ISOMER
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C28H28N2O9
InChI InChI=1S/C28H28N2O9/c1-17-14-30(27(35)29-25(17)33)24-13-28(39-19(3)32,16-37-18(2)31)23(38-24)15-36-26(34)22-11-9-21(10-12-22)20-7-5-4-6-8-20/h4-12,14,23-24H,13,15-16H2,1-3H3,(H,29,33,35)/t23-,24-,28-/m0/s1
InChIKey WXOVQSYECSLYRK-QONNDPFASA-N
Literature Reference Author H.M.PFUNDHELLER,P.N.JORGENSEN,U.S.SORENSEN,S.K.SHARMA,M.GRIM STRUP,C.STROECH,P.NI
Literature Reference Citation J.CHEM.SOC.PERKIN-1,1409(1998)
Literature Reference DOI 10.1039/a708801i
Molecular Weight 536.538 g/mol
Solvent CDCl3
Source File Reference UWRU3776