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Genistein-4'-monostearate
SpectraBase Compound ID 7hjMNSk5EUp
InChI InChI=1S/C33H44O6/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-31(36)39-27-20-18-25(19-21-27)28-24-38-30-23-26(34)22-29(35)32(30)33(28)37/h18-24,34-35H,2-17H2,1H3
InChIKey IUCJOMMDMXBGPQ-UHFFFAOYSA-N
Mol Weight 536.7 g/mol
Molecular Formula C33H44O6
Exact Mass 536.313789 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1hbdNikFKp3
Name Genistein-4'-monostearate
Comments Less than 3 mono-isotopic peaks
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Formula C33H44O6
InChI InChI=1S/C33H44O6/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-31(36)39-27-20-18-25(19-21-27)28-24-38-30-23-26(34)22-29(35)32(30)33(28)37/h18-24,34-35H,2-17H2,1H3
InChIKey IUCJOMMDMXBGPQ-UHFFFAOYSA-N
Molecular Weight 536.709 g/mol
SMILES Oc1cc2OC=C(C(c2c(c1)O)=O)c1ccc(OC(=O)CCCCCCCCCCCCCCCCC)cc1
SPLASH splash10-006t-9060000000-f0ee8850a4ea589ae263
Source of Spectrum F-56-7809-7
Synonyms 4-(5,7-dihydroxy-4-oxo-4H-chromen-3-yl)phenyl stearate octadecanoic acid[4-(5,7-dihydroxy-4-oxo-1-benzopyran-3-yl)phenyl]ester stearic acid[4-(5,7-dihydroxy-4-keto-chromen-3-yl)phenyl]ester [4-(5,7-dihydroxy-4-oxo-chromen-3-yl)phenyl]octadecanoate [4-[5,7-bis(oxidanyl)-4-oxidanylidene-chromen-3-yl]phenyl]octadecanoate octadecanoic acid [4-(5,7-dihydroxy-4-oxo-1-benzopyran-3-yl)phenyl] ester [4-(5,7-dihydroxy-4-oxochromen-3-yl)phenyl] octadecanoate [4-(5,7-dihydroxy-4-oxo-chromen-3-yl)phenyl] octadecanoate [4-[5,7-bis(oxidanyl)-4-oxidanylidene-chromen-3-yl]phenyl] octadecanoate
Wiley ID 858603