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3'-AZIDO-3'-DEOXYTHYMIDIN-5'-YL-O-(3-CARBOXYPROPYL)-CARBONATE-(3,4,5-TRIMETHOXYBENZOIC-ACID)-MIXED-ANHYDRIDE
SpectraBase Compound ID FQezNXSA3Nd
InChI InChI=1S/C25H29N5O12/c1-13-11-30(24(34)27-22(13)32)19-10-15(28-29-26)18(41-19)12-40-25(35)39-7-5-6-20(31)42-23(33)14-8-16(36-2)21(38-4)17(9-14)37-3/h8-9,11,15,18-19H,5-7,10,12H2,1-4H3,(H,27,32,34)/t15-,18+,19+/m0/s1
InChIKey VNMBSJZCWOFODN-KFKAGJAMSA-N
Mol Weight 591.53 g/mol
Molecular Formula C25H29N5O12
Exact Mass 591.181271 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID G3hVMyc1Czj
Name 3'-AZIDO-3'-DEOXYTHYMIDIN-5'-YL-O-(3-CARBOXYPROPYL)-CARBONATE-(3,4,5-TRIMETHOXYBENZOIC-ACID)-MIXED-ANHYDRIDE
Compound Number 12
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C25H29N5O12
InChI InChI=1S/C25H29N5O12/c1-13-11-30(24(34)27-22(13)32)19-10-15(28-29-26)18(41-19)12-40-25(35)39-7-5-6-20(31)42-23(33)14-8-16(36-2)21(38-4)17(9-14)37-3/h8-9,11,15,18-19H,5-7,10,12H2,1-4H3,(H,27,32,34)/t15-,18+,19+/m0/s1
InChIKey VNMBSJZCWOFODN-KFKAGJAMSA-N
Literature Reference Author P.VLIEGHE,F.BIHEL,T.CLERC,C.PANNECOUQUE,M.WITVROUW,E.D.CLERC Q,J.P.SALLES,J.C.CHE
Literature Reference Citation J.MED.CHEM.,44,777(2001)
Literature Reference DOI 10.1021/jm001033s
Molecular Weight 591.532 g/mol
Sample ID 44335
Solvent CDCl3