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Daidzein-7,4'-dioleate

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Daidzein-7,4'-dioleate
SpectraBase Compound ID D3vdHfAtI6W
InChI InChI=1S/C51H74O6/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-49(52)56-44-37-35-43(36-38-44)47-42-55-48-41-45(39-40-46(48)51(47)54)57-50(53)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h17-20,35-42H,3-16,21-34H2,1-2H3/b19-17-,20-18-
InChIKey BZNMFQHUSQFOQO-CLFAGFIQSA-N
Mol Weight 783.1 g/mol
Molecular Formula C51H74O6
Exact Mass 782.54854 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 92xCMsJaP2U
Name Daidzein-7,4'-dioleate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 782.548540097 u
Formula C51H74O6
InChI InChI=1S/C51H74O6/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-49(52)56-44-37-35-43(36-38-44)47-42-55-48-41-45(39-40-46(48)51(47)54)57-50(53)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h17-20,35-42H,3-16,21-34H2,1-2H3/b19-17-,20-18-
InChIKey BZNMFQHUSQFOQO-CLFAGFIQSA-N
Molecular Weight 783.147 g/mol
SMILES C=1(C(C2=C(C=C(OC(=O)CCCCCCC\C=C/CCCCCCCC)C=C2)OC1)=O)C=1C=CC(OC(=O)CCCCCCC\C=C/CCCCCCCC)=CC1