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PRKIEFVKUQPRED-KRARUTKQSA-N

View entire compound with spectra: 2 NMR

PRKIEFVKUQPRED-KRARUTKQSA-N
SpectraBase Compound ID JJNvkMjAEJ3
InChI InChI=1S/C76H104O4/c1-5-9-13-17-21-25-29-41-53-77-73-61-49-37-38-50-62(61)74(78-54-42-30-26-22-18-14-10-6-2)70-67-58-46-34-33-45-57(58)65(69(70)73)66-59-47-35-36-48-60(59)68(67)72-71(66)75(79-55-43-31-27-23-19-15-11-7-3)63-51-39-40-52-64(63)76(72)80-56-44-32-28-24-20-16-12-8-4/h33-40,45-52,65-68H,5-32,41-44,53-56H2,1-4H3/t65-,66?,67-,68?/m1/s1
InChIKey PRKIEFVKUQPRED-KRARUTKQSA-N
Mol Weight 1081.7 g/mol
Molecular Formula C76H104O4
Exact Mass 1080.793462 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KocX9weTT4C
Name PRKIEFVKUQPRED-KRARUTKQSA-N
Compound Number P1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C76H104O4
InChI InChI=1S/C76H104O4/c1-5-9-13-17-21-25-29-41-53-77-73-61-49-37-38-50-62(61)74(78-54-42-30-26-22-18-14-10-6-2)70-67-58-46-34-33-45-57(58)65(69(70)73)66-59-47-35-36-48-60(59)68(67)72-71(66)75(79-55-43-31-27-23-19-15-11-7-3)63-51-39-40-52-64(63)76(72)80-56-44-32-28-24-20-16-12-8-4/h33-40,45-52,65-68H,5-32,41-44,53-56H2,1-4H3/t65-,66?,67-,68?/m1/s1
InChIKey PRKIEFVKUQPRED-KRARUTKQSA-N
Literature Reference Author J.REICHWAGEN,H.HOPF,A.D.GUERZO,J.P.DESVERGNE,H.BOUAS-LAURENT
Literature Reference Citation ORG.LETTERS,6,1899(2004)
Literature Reference DOI 10.1021/ol049695p
Molecular Weight 1081.659 g/mol
Sample ID 53171
Solvent CDCl3