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XFZCJVSJUKRQKT-LHGDFNSSSA-N

View entire compound with spectra: 1 NMR

XFZCJVSJUKRQKT-LHGDFNSSSA-N
SpectraBase Compound ID 9C3IrR0eKap
InChI InChI=1S/C56H64O14S2/c1-71(57,58)68-34-33-49(62-36-44-23-11-4-12-24-44)52(63-37-45-25-13-5-14-26-45)51(70-72(2,59)60)42-67-56-55(66-40-48-31-19-8-20-32-48)54(65-39-47-29-17-7-18-30-47)53(64-38-46-27-15-6-16-28-46)50(69-56)41-61-35-43-21-9-3-10-22-43/h3-32,49-56H,33-42H2,1-2H3/t49-,50+,51+,52-,53-,54-,55+,56-/m1/s1
InChIKey XFZCJVSJUKRQKT-LHGDFNSSSA-N
Mol Weight 1025.2 g/mol
Molecular Formula C56H64O14S2
Exact Mass 1024.373749 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Gp4lrSMOsbv
Name XFZCJVSJUKRQKT-LHGDFNSSSA-N
Compound Number 12D
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C56H64O14S2
InChI InChI=1S/C56H64O14S2/c1-71(57,58)68-34-33-49(62-36-44-23-11-4-12-24-44)52(63-37-45-25-13-5-14-26-45)51(70-72(2,59)60)42-67-56-55(66-40-48-31-19-8-20-32-48)54(65-39-47-29-17-7-18-30-47)53(64-38-46-27-15-6-16-28-46)50(69-56)41-61-35-43-21-9-3-10-22-43/h3-32,49-56H,33-42H2,1-2H3/t49-,50+,51+,52-,53-,54-,55+,56-/m1/s1
InChIKey XFZCJVSJUKRQKT-LHGDFNSSSA-N
Literature Reference Author P.PASSACANTILLI,C.CENTORE,E.CILIBERTI,F.LEONELLI,G.PIANCATEL LI
Literature Reference Citation EUR.J.ORG.CHEM.,3097(2006)
Molecular Weight 1025.236 g/mol
Sample ID 44113
Solvent CDCl3