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4-BETA-{4''-[1'''-(2''',3''',4'''-TRI-O-BUTYRYL-BETA-D-XYLOPYRANOSYLOXY)-1,2,3-TRIAZOL-1-YL]}-4-DEOXY-4'-DEMETHYL-PODOPHYLLOTOXIN
SpectraBase Compound ID EKDimAyZKcM
InChI InChI=1S/C41H49N3O15/c1-6-9-31(45)57-30-19-54-41(39(59-33(47)11-8-3)38(30)58-32(46)10-7-2)53-17-22-16-44(43-42-22)36-24-15-27-26(55-20-56-27)14-23(24)34(35-25(36)18-52-40(35)49)21-12-28(50-4)37(48)29(13-21)51-5/h12-16,25,30,34-36,38-39,41,48H,6-11,17-20H2,1-5H3/t25-,30+,34+,35-,36+,38-,39+,41+/m0/s1
InChIKey HSKDDLWKKBGCJS-DHTQZHCDSA-N
Mol Weight 823.8 g/mol
Molecular Formula C41H49N3O15
Exact Mass 823.316368 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1TuOgUI7ZJP
Name 4-BETA-{4''-[1'''-(2''',3''',4'''-TRI-O-BUTYRYL-BETA-D-XYLOPYRANOSYLOXY)-1,2,3-TRIAZOL-1-YL]}-4-DEOXY-4'-DEMETHYL-PODOPHYLLOTOXIN
Compound Number 29B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C41H49N3O15
InChI InChI=1S/C41H49N3O15/c1-6-9-31(45)57-30-19-54-41(39(59-33(47)11-8-3)38(30)58-32(46)10-7-2)53-17-22-16-44(43-42-22)36-24-15-27-26(55-20-56-27)14-23(24)34(35-25(36)18-52-40(35)49)21-12-28(50-4)37(48)29(13-21)51-5/h12-16,25,30,34-36,38-39,41,48H,6-11,17-20H2,1-5H3/t25-,30+,34+,35-,36+,38-,39+,41+/m0/s1
InChIKey HSKDDLWKKBGCJS-DHTQZHCDSA-N
Literature Reference Author C.T.ZI,Z.H.LIU,G.T.LI,Y.LI,J.ZHOU,Z.T.DING,J.M.HU,Z.H.JINAG
Literature Reference Citation MOLECULES,20,3255(2015)
Literature Reference DOI 10.3390/molecules20023255
Molecular Weight 823.851 g/mol
Solvent C5D5N
Source File Reference UWPA2183