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MIXTURE
SpectraBase Compound ID Ecg3hHa7g3Y
InChI InChI=1S/C58H102O3/c1-4-7-10-12-14-16-18-20-22-24-26-27-28-29-31-32-34-36-38-40-42-44-46-48-54-51-55(59)53-56(52-54)61-58(50-9-6-3)57(60)49-47-45-43-41-39-37-35-33-30-25-23-21-19-17-15-13-11-8-5-2/h6,9,20-23,50-53,57-60H,3-5,7-8,10-19,24-49H2,1-2H3/b22-20+,23-21+,50-9-
InChIKey AZFBQOZKFYYNNN-AAISIZGRSA-N
Mol Weight 847.5 g/mol
Molecular Formula C58H102O3
Exact Mass 846.782897 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KGw3HXVOhPe
Name MIXTURE
Compound Number (E)-#11
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C58H102O3
InChI InChI=1S/C58H102O3/c1-4-7-10-12-14-16-18-20-22-24-26-27-28-29-31-32-34-36-38-40-42-44-46-48-54-51-55(59)53-56(52-54)61-58(50-9-6-3)57(60)49-47-45-43-41-39-37-35-33-30-25-23-21-19-17-15-13-11-8-5-2/h6,9,20-23,50-53,57-60H,3-5,7-8,10-19,24-49H2,1-2H3/b22-20+,23-21+,50-9-
InChIKey AZFBQOZKFYYNNN-AAISIZGRSA-N
Literature Reference Author P.METZGER
Literature Reference Citation PHYTOCHEM.,36,195(1994)
Literature Reference DOI 10.1016/S0031-9422(00)97038-9
Molecular Weight 847.446 g/mol
Solvent C6D6
Source File Reference UWLU25991