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4-BETA-{4''-[1'''-(2''',3''',4''',6'''-TETRA-O-BUTYRYL-BETA-D-GALACTOPYRANOSYLOXY)-1,2,3-TRIAZOL-1-YL]}-4-DEOXY-4'-DEMETHYLPODOPHYLLOTOXIN
SpectraBase Compound ID 8GoU3mNoA83
InChI InChI=1S/C46H57N3O17/c1-7-11-34(50)58-22-33-42(64-35(51)12-8-2)43(65-36(52)13-9-3)44(66-37(53)14-10-4)46(63-33)60-20-25-19-49(48-47-25)40-27-18-30-29(61-23-62-30)17-26(27)38(39-28(40)21-59-45(39)55)24-15-31(56-5)41(54)32(16-24)57-6/h15-19,28,33,38-40,42-44,46,54H,7-14,20-23H2,1-6H3/t28-,33+,38+,39-,40+,42-,43-,44+,46+/m0/s1
InChIKey JJJAZYZHDBFEAX-RCUUZDIESA-N
Mol Weight 924.0 g/mol
Molecular Formula C46H57N3O17
Exact Mass 923.368797 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID J6wPJaH2fyi
Name 4-BETA-{4''-[1'''-(2''',3''',4''',6'''-TETRA-O-BUTYRYL-BETA-D-GALACTOPYRANOSYLOXY)-1,2,3-TRIAZOL-1-YL]}-4-DEOXY-4'-DEMETHYLPODOPHYLLOTOXIN
Compound Number 21B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C46H57N3O17
InChI InChI=1S/C46H57N3O17/c1-7-11-34(50)58-22-33-42(64-35(51)12-8-2)43(65-36(52)13-9-3)44(66-37(53)14-10-4)46(63-33)60-20-25-19-49(48-47-25)40-27-18-30-29(61-23-62-30)17-26(27)38(39-28(40)21-59-45(39)55)24-15-31(56-5)41(54)32(16-24)57-6/h15-19,28,33,38-40,42-44,46,54H,7-14,20-23H2,1-6H3/t28-,33+,38+,39-,40+,42-,43-,44+,46+/m0/s1
InChIKey JJJAZYZHDBFEAX-RCUUZDIESA-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 923.968 g/mol
Solvent CD3OD
Source File Reference UWPA2167