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Genistein-7-monostearate
SpectraBase Compound ID 3I5sX4RecyZ
InChI InChI=1S/C33H44O6/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-31(36)39-27-22-29(35)32-30(23-27)38-24-28(33(32)37)25-18-20-26(34)21-19-25/h18-24,34-35H,2-17H2,1H3
InChIKey UJZMIIKJSOMRJN-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 9Xpy7lnZ4H2
Name Genistein-7-monostearate
Alternate Name(s) 5-hydroxy-3-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-yl stearate octadecanoic acid [5-hydroxy-3-(4-hydroxyphenyl)-4-oxo-1-benzopyran-7-yl] ester [5-hydroxy-3-(4-hydroxyphenyl)-4-oxochromen-7-yl] octadecanoate [5-hydroxy-3-(4-hydroxyphenyl)-4-oxo-chromen-7-yl] octadecanoate [3-(4-hydroxyphenyl)-5-oxidanyl-4-oxidanylidene-chromen-7-yl] octadecanoate
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)39-27-22-29(35)32-30(23-27)38-24-28(33(32)37)25-18-20-26(34)21-19-25/h18-24,34-35H,2-17H2,1H3
InChIKey UJZMIIKJSOMRJN-UHFFFAOYSA-N
Molecular Weight 536.709 g/mol
SMILES Oc1ccc(C=2C(c3c(cc(cc3OC2)OC(=O)CCCCCCCCCCCCCCCCC)O)=O)cc1
SPLASH splash10-006t-9050000000-4959a550225ede1ab604
Source of Spectrum F-56-7809-6
Wiley ID 858604