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(10Z,22Z,34Z)-12,24,36-TRI-[(1Z,4Z)-HEPTA-1,4-DIENYL]-1,13,25-TRIOXA-CYCLO-TRIACONTA-10,22,34-TRIENE-2,14,26-TRIONE
SpectraBase Compound ID Jixv7EIRye5
InChI InChI=1S/C54H84O6/c1-4-7-10-22-31-40-49-43-34-25-16-13-19-29-38-47-53(56)59-51(42-33-24-12-9-6-3)45-36-27-18-15-21-30-39-48-54(57)60-50(41-32-23-11-8-5-2)44-35-26-17-14-20-28-37-46-52(55)58-49/h7-12,31-36,40-45,49-51H,4-6,13-30,37-39,46-48H2,1-3H3/b10-7-,11-8-,12-9-,40-31-,41-32-,42-33-,43-34-,44-35-,45-36+/t49-,50-,51-/m0/s1
InChIKey YMRCXPYEGFXETG-LUIYXMTLSA-N
Mol Weight 829.3 g/mol
Molecular Formula C54H84O6
Exact Mass 828.62679 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9Xz3SUeTgx3
Name (10Z,22Z,34Z)-12,24,36-TRI-[(1Z,4Z)-HEPTA-1,4-DIENYL]-1,13,25-TRIOXA-CYCLO-TRIACONTA-10,22,34-TRIENE-2,14,26-TRIONE
Compound Number 26
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C54H84O6
InChI InChI=1S/C54H84O6/c1-4-7-10-22-31-40-49-43-34-25-16-13-19-29-38-47-53(56)59-51(42-33-24-12-9-6-3)45-36-27-18-15-21-30-39-48-54(57)60-50(41-32-23-11-8-5-2)44-35-26-17-14-20-28-37-46-52(55)58-49/h7-12,31-36,40-45,49-51H,4-6,13-30,37-39,46-48H2,1-3H3/b10-7-,11-8-,12-9-,40-31-,41-32-,42-33-,43-34-,44-35-,45-36+/t49-,50-,51-/m0/s1
InChIKey YMRCXPYEGFXETG-LUIYXMTLSA-N
Literature Reference Author D.B.WEIBEL,L.E.SHEVY,F.C.SCHROEDER,J.MEINWALD
Literature Reference Citation J.ORG.CHEM.,67,5896(2002)
Literature Reference DOI 10.1021/jo011102q
Molecular Weight 829.257 g/mol
Solvent C6D6
Source File Reference UWMS25806