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QEUBCWVRPORGEM-CWDYJEFRSA-N
SpectraBase Compound ID FthF6UDm6pd
InChI InChI=1S/C88H108N4O12/c1-53(2)37-65-69-41-74(82(45-77(69)97-13)102-50-86(94)90-58(10)62-31-23-18-24-32-62)67(39-55(5)6)71-43-76(84(47-79(71)99-15)104-52-88(96)92-60(12)64-35-27-20-28-36-64)68(40-56(7)8)72-44-75(83(48-80(72)100-16)103-51-87(95)91-59(11)63-33-25-19-26-34-63)66(38-54(3)4)70-42-73(65)81(46-78(70)98-14)101-49-85(93)89-57(9)61-29-21-17-22-30-61/h17-36,41-48,53-60,65-68H,37-40,49-52H2,1-16H3,(H,89,93)(H,90,94)(H,91,95)(H,92,96)/t57-,58-,59-,60-,65?,66?,67?,68?/m0/s1
InChIKey QEUBCWVRPORGEM-CWDYJEFRSA-N
Mol Weight 1413.8 g/mol
Molecular Formula C88H108N4O12
Exact Mass 1412.796375 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID tF8dlJTXcY
Name QEUBCWVRPORGEM-CWDYJEFRSA-N
Compound Number 3B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C88H108N4O12
InChI InChI=1S/C88H108N4O12/c1-53(2)37-65-69-41-74(82(45-77(69)97-13)102-50-86(94)90-58(10)62-31-23-18-24-32-62)67(39-55(5)6)71-43-76(84(47-79(71)99-15)104-52-88(96)92-60(12)64-35-27-20-28-36-64)68(40-56(7)8)72-44-75(83(48-80(72)100-16)103-51-87(95)91-59(11)63-33-25-19-26-34-63)66(38-54(3)4)70-42-73(65)81(46-78(70)98-14)101-49-85(93)89-57(9)61-29-21-17-22-30-61/h17-36,41-48,53-60,65-68H,37-40,49-52H2,1-16H3,(H,89,93)(H,90,94)(H,91,95)(H,92,96)/t57-,58-,59-,60-,65?,66?,67?,68?/m0/s1
InChIKey QEUBCWVRPORGEM-CWDYJEFRSA-N
Literature Reference Author M.KLAES,B.NEUMANN,H.G.STAMMLER,J.MATTAY
Literature Reference Citation EUR.J.ORG.CHEM.,864(2005)
Molecular Weight 1413.845 g/mol
Sample ID 39059
Solvent CDCl3