For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
4-BETA-{4''-[1'''-(2''',3''',4'''-TRI-O-BUTYRYL-ALPHA-D-XYLOPYRANOSYLOXY)-3,6,9-TRIOXADEC-10-YL]-1,2,3-TRIAZOL-1-YL}-4-DEOXY-PODOPHYLLOTOXIN
SpectraBase Compound ID CTY4JeJamij
InChI InChI=1S/C48H63N3O18/c1-7-10-38(52)67-37-26-64-48(46(69-40(54)12-9-3)45(37)68-39(53)11-8-2)62-18-17-60-14-13-59-15-16-61-24-29-23-51(50-49-29)43-31-22-34-33(65-27-66-34)21-30(31)41(42-32(43)25-63-47(42)55)28-19-35(56-4)44(58-6)36(20-28)57-5/h19-23,32,37,41-43,45-46,48H,7-18,24-27H2,1-6H3/t32-,37-,41+,42-,43+,45+,46-,48+/m0/s1
InChIKey IMGJTOIMQMNROR-OGCBZATFSA-N
Mol Weight 970.0 g/mol
Molecular Formula C48H63N3O18
Exact Mass 969.410662 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID G21ZS1ITlSn
Name 4-BETA-{4''-[1'''-(2''',3''',4'''-TRI-O-BUTYRYL-ALPHA-D-XYLOPYRANOSYLOXY)-3,6,9-TRIOXADEC-10-YL]-1,2,3-TRIAZOL-1-YL}-4-DEOXY-PODOPHYLLOTOXIN
Compound Number 30A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C48H63N3O18
InChI InChI=1S/C48H63N3O18/c1-7-10-38(52)67-37-26-64-48(46(69-40(54)12-9-3)45(37)68-39(53)11-8-2)62-18-17-60-14-13-59-15-16-61-24-29-23-51(50-49-29)43-31-22-34-33(65-27-66-34)21-30(31)41(42-32(43)25-63-47(42)55)28-19-35(56-4)44(58-6)36(20-28)57-5/h19-23,32,37,41-43,45-46,48H,7-18,24-27H2,1-6H3/t32-,37-,41+,42-,43+,45+,46-,48+/m0/s1
InChIKey IMGJTOIMQMNROR-OGCBZATFSA-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 970.038 g/mol
Solvent CD3OD
Source File Reference UWPA2184