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O',O',O',O'-TETRA-ACETYL-4-(4''-BrOMOBENZYL)-VINCOSIDE
SpectraBase Compound ID LX3l9ty4EZw
InChI InChI=1S/C42H47BrN2O13/c1-7-28-31(18-34-36-30(29-10-8-9-11-33(29)44-36)16-17-45(34)19-26-12-14-27(43)15-13-26)32(40(50)51-6)20-53-41(28)58-42-39(56-25(5)49)38(55-24(4)48)37(54-23(3)47)35(57-42)21-52-22(2)46/h7-15,20,28,31,34-35,37-39,41-42,44H,1,16-19,21H2,2-6H3/t28-,31+,34?,35-,37-,38+,39-,41+,42+/m1/s1
InChIKey PFXZHVASSZACHG-KKJBNVNFSA-N
Mol Weight 867.7 g/mol
Molecular Formula C42H47BrN2O13
Exact Mass 866.226153 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9qqaqpZ3ja7
Name O',O',O',O'-TETRA-ACETYL-4-(4''-BrOMOBENZYL)-VINCOSIDE
Compound Number 3D
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C42H47BrN2O13
InChI InChI=1S/C42H47BrN2O13/c1-7-28-31(18-34-36-30(29-10-8-9-11-33(29)44-36)16-17-45(34)19-26-12-14-27(43)15-13-26)32(40(50)51-6)20-53-41(28)58-42-39(56-25(5)49)38(55-24(4)48)37(54-23(3)47)35(57-42)21-52-22(2)46/h7-15,20,28,31,34-35,37-39,41-42,44H,1,16-19,21H2,2-6H3/t28-,31+,34?,35-,37-,38+,39-,41+,42+/m1/s1
InChIKey PFXZHVASSZACHG-KKJBNVNFSA-N
Literature Reference Author A.PATTHY-LUKATS,A.KOCSIS,L.F.SZABO,B.PODANYI
Literature Reference Citation J.NAT.PROD.,62,1492(1999)
Literature Reference DOI 10.1021/np990150r
Molecular Weight 867.745 g/mol
Solvent CDCl3
Source File Reference UWRU559