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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

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KFsDCP0EA5N
Name Daidzein-7,4'-dioleate
Alternate Name(s) (Z)-9-octadecenoic acid[4-[4-oxo-7-[(Z)-1-oxooctadec-9-enoxy]-1-benzopyran-3-yl]phenyl]ester (Z)-octadec-9-enoic acid[4-[4-keto-7-[(Z)-octadec-9-enoyl]oxy-chromen-3-yl]phenyl]ester 4-{7-[(9Z)-9-octadecenoyloxy]-4-oxo-4H-chromen-3-yl}phenyl (9Z)-9-octadecenoate [4-[7-[(Z)-octadec-9-enoyl]oxy-4-oxidanylidene-chromen-3-yl]phenyl](Z)-octadec-9-enoate [4-[7-[(Z)-octadec-9-enoyl]oxy-4-oxo-chromen-3-yl]phenyl](Z)-octadec-9-enoate (Z)-9-octadecenoic acid [4-[4-oxo-7-[(Z)-1-oxooctadec-9-enoxy]-1-benzopyran-3-yl]phenyl] ester [4-[7-[(Z)-octadec-9-enoyl]oxy-4-oxochromen-3-yl]phenyl] (Z)-octadec-9-enoate [4-[7-[(Z)-octadec-9-enoyl]oxy-4-oxo-chromen-3-yl]phenyl] (Z)-octadec-9-enoate [4-[7-[(Z)-octadec-9-enoyl]oxy-4-oxidanylidene-chromen-3-yl]phenyl] (Z)-octadec-9-enoate
Comments Less than 3 mono-isotopic peaks
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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(c2c(cc(OC(=O)CCCCCCC\C=C/CCCCCCCC)cc2)OC1)=O)c1ccc(OC(=O)CCCCCCC\C=C/CCCCCCCC)cc1
SPLASH splash10-0udi-0090000000-aad81ced003072af8d5a
Source of Spectrum F-56-7809-11
Wiley ID 858601