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4-BETA-{4''-[1'''-(2''',3''',4'''-TRI-O-BUTYRYL-ALPHA-D-XYLOPYRANOSYLOXY)-1,2,3-TRIAZOL-1-YL]}-4-DEOXY-PODOPHYLLOTOXIN
SpectraBase Compound ID LLOBeLEapQv
InChI InChI=1S/C42H51N3O15/c1-7-10-32(46)58-31-20-55-42(40(60-34(48)12-9-3)39(31)59-33(47)11-8-2)54-18-23-17-45(44-43-23)37-25-16-28-27(56-21-57-28)15-24(25)35(36-26(37)19-53-41(36)49)22-13-29(50-4)38(52-6)30(14-22)51-5/h13-17,26,31,35-37,39-40,42H,7-12,18-21H2,1-6H3/t26-,31+,35+,36-,37+,39-,40+,42-/m0/s1
InChIKey WDUCLTSQEKEVFO-BSIRXTQMSA-N
Mol Weight 837.9 g/mol
Molecular Formula C42H51N3O15
Exact Mass 837.332018 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AL7pBMw02Ik
Name 4-BETA-{4''-[1'''-(2''',3''',4'''-TRI-O-BUTYRYL-ALPHA-D-XYLOPYRANOSYLOXY)-1,2,3-TRIAZOL-1-YL]}-4-DEOXY-PODOPHYLLOTOXIN
Compound Number 28A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C42H51N3O15
InChI InChI=1S/C42H51N3O15/c1-7-10-32(46)58-31-20-55-42(40(60-34(48)12-9-3)39(31)59-33(47)11-8-2)54-18-23-17-45(44-43-23)37-25-16-28-27(56-21-57-28)15-24(25)35(36-26(37)19-53-41(36)49)22-13-29(50-4)38(52-6)30(14-22)51-5/h13-17,26,31,35-37,39-40,42H,7-12,18-21H2,1-6H3/t26-,31+,35+,36-,37+,39-,40+,42-/m0/s1
InChIKey WDUCLTSQEKEVFO-BSIRXTQMSA-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 837.878 g/mol
Solvent CD3OD
Source File Reference UWPA2179