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WBZNOZZVKPNUSG-USAILLIYSA-N

View entire compound with spectra: 1 NMR

WBZNOZZVKPNUSG-USAILLIYSA-N
SpectraBase Compound ID 85bh9oEcwjG
InChI InChI=1S/C47H38N4O16S/c52-33-21-23-50(45(58)48-33)39-37(35(64-43(56)29-17-9-3-10-18-29)31(62-39)25-60-41(54)27-13-5-1-6-14-27)66-47(68)67-38-36(65-44(57)30-19-11-4-12-20-30)32(26-61-42(55)28-15-7-2-8-16-28)63-40(38)51-24-22-34(53)49-46(51)59/h1-24,31-32,35-40H,25-26H2,(H,48,52,58)(H,49,53,59)/t31-,32+,35+,36-,37-,38+,39-,40+
InChIKey WBZNOZZVKPNUSG-USAILLIYSA-N
Mol Weight 946.9 g/mol
Molecular Formula C47H38N4O16S
Exact Mass 946.200352 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 66xMLlSCX5b
Name WBZNOZZVKPNUSG-USAILLIYSA-N
Compound Number 8D
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C47H38N4O16S
InChI InChI=1S/C47H38N4O16S/c52-33-21-23-50(45(58)48-33)39-37(35(64-43(56)29-17-9-3-10-18-29)31(62-39)25-60-41(54)27-13-5-1-6-14-27)66-47(68)67-38-36(65-44(57)30-19-11-4-12-20-30)32(26-61-42(55)28-15-7-2-8-16-28)63-40(38)51-24-22-34(53)49-46(51)59/h1-24,31-32,35-40H,25-26H2,(H,48,52,58)(H,49,53,59)/t31-,32+,35+,36-,37-,38+,39-,40+
InChIKey WBZNOZZVKPNUSG-USAILLIYSA-N
Literature Reference Author M.J.ROBINS,D.MADEJ,F.HANSSKE,J.S.WILSON,G.GOSSELIN,M.C.BERGO GNE,J.L.IMBACH,J.BAL
Literature Reference Citation CAN.J.CHEM.,66,1258(1988)
Literature Reference DOI 10.1139/v88-204
Molecular Weight 946.896 g/mol
Solvent DMSO-D6
Source File Reference UWCS6806