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4-BETA-{4''-[1'''-(2''',3''',4''',6'''-TETRA-O-BUTYRYL-BETA-D-MANNOPYRANOSYLOXY)-1,2,3-TRIAZOL-1-YL]}-4-DEOXY-PODOPHYLLOTOXIN
SpectraBase Compound ID Glypp0cmGDs
InChI InChI=1S/C47H59N3O17/c1-8-12-35(51)59-23-34-43(65-36(52)13-9-2)44(66-37(53)14-10-3)45(67-38(54)15-11-4)47(64-34)61-21-26-20-50(49-48-26)41-28-19-31-30(62-24-63-31)18-27(28)39(40-29(41)22-60-46(40)55)25-16-32(56-5)42(58-7)33(17-25)57-6/h16-20,29,34,39-41,43-45,47H,8-15,21-24H2,1-7H3/t29-,34+,39+,40-,41+,43+,44-,45-,47+/m0/s1
InChIKey CKUHSPFQQNJHOC-YJRJAJCESA-N
Mol Weight 938.0 g/mol
Molecular Formula C47H59N3O17
Exact Mass 937.384447 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9qV881bAVDm
Name 4-BETA-{4''-[1'''-(2''',3''',4''',6'''-TETRA-O-BUTYRYL-BETA-D-MANNOPYRANOSYLOXY)-1,2,3-TRIAZOL-1-YL]}-4-DEOXY-PODOPHYLLOTOXIN
Compound Number 24B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C47H59N3O17
InChI InChI=1S/C47H59N3O17/c1-8-12-35(51)59-23-34-43(65-36(52)13-9-2)44(66-37(53)14-10-3)45(67-38(54)15-11-4)47(64-34)61-21-26-20-50(49-48-26)41-28-19-31-30(62-24-63-31)18-27(28)39(40-29(41)22-60-46(40)55)25-16-32(56-5)42(58-7)33(17-25)57-6/h16-20,29,34,39-41,43-45,47H,8-15,21-24H2,1-7H3/t29-,34+,39+,40-,41+,43+,44-,45-,47+/m0/s1
InChIKey CKUHSPFQQNJHOC-YJRJAJCESA-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 937.995 g/mol
Solvent CD3OD
Source File Reference UWPA2173