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Genistein-7,4'-distearate
SpectraBase Compound ID 5BQZxQG8A9u
InChI InChI=1S/C51H78O7/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-48(53)57-43-37-35-42(36-38-43)45-41-56-47-40-44(39-46(52)50(47)51(45)55)58-49(54)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h35-41,52H,3-34H2,1-2H3
InChIKey IVQBYUOCWDQSAB-UHFFFAOYSA-N
Mol Weight 803.2 g/mol
Molecular Formula C51H78O7
Exact Mass 802.574755 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LCfMT6wRFKM
Name Genistein-7,4'-distearate
Alternate Name(s) 4-[5-hydroxy-4-oxo-7-(stearoyloxy)-4H-chromen-3-yl]phenyl stearate octadecanoic acid[4-[5-hydroxy-4-oxo-7-(1-oxooctadecoxy)-1-benzopyran-3-yl]phenyl]ester stearic acid[4-(5-hydroxy-4-keto-7-stearoyloxy-chromen-3-yl)phenyl]ester [4-(5-hydroxy-7-octadecanoyloxy-4-oxo-chromen-3-yl)phenyl]octadecanoate [4-(7-octadecanoyloxy-5-oxidanyl-4-oxidanylidene-chromen-3-yl)phenyl]octadecanoate octadecanoic acid [4-[5-hydroxy-4-oxo-7-(1-oxooctadecoxy)-1-benzopyran-3-yl]phenyl] ester [4-(5-hydroxy-7-octadecanoyloxy-4-oxochromen-3-yl)phenyl] octadecanoate [4-(5-hydroxy-7-octadecanoyloxy-4-oxo-chromen-3-yl)phenyl] octadecanoate [4-(7-octadecanoyloxy-5-oxidanyl-4-oxidanylidene-chromen-3-yl)phenyl] octadecanoate
Comments Less than 3 mono-isotopic peaks
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Formula C51H78O7
InChI InChI=1S/C51H78O7/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-48(53)57-43-37-35-42(36-38-43)45-41-56-47-40-44(39-46(52)50(47)51(45)55)58-49(54)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h35-41,52H,3-34H2,1-2H3
InChIKey IVQBYUOCWDQSAB-UHFFFAOYSA-N
Molecular Weight 803.178 g/mol
SMILES Oc1c2C(C(=COc2cc(OC(=O)CCCCCCCCCCCCCCCCC)c1)c1ccc(OC(=O)CCCCCCCCCCCCCCCCC)cc1)=O
SPLASH splash10-00di-0090030000-3c79f21969b8c0c5482e
Source of Spectrum F-56-7809-8
Wiley ID 858602