For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
Daidzein-7,4'-distearate
SpectraBase Compound ID 6kUqLWOSZk8
InChI InChI=1S/C51H78O6/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/h35-42H,3-34H2,1-2H3
InChIKey AWXFTEDLPZSJEF-UHFFFAOYSA-N
Mol Weight 787.2 g/mol
Molecular Formula C51H78O6
Exact Mass 786.57984 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID BiTbPZNbfuU
Name Daidzein-7,4'-distearate
Alternate Name(s) 4-[4-oxo-7-(stearoyloxy)-4H-chromen-3-yl]phenyl stearate octadecanoic acid[4-[4-oxo-7-(1-oxooctadecoxy)-1-benzopyran-3-yl]phenyl]ester stearic acid[4-(4-keto-7-stearoyloxy-chromen-3-yl)phenyl]ester [4-(7-octadecanoyloxy-4-oxidanylidene-chromen-3-yl)phenyl]octadecanoate [4-(7-octadecanoyloxy-4-oxo-chromen-3-yl)phenyl]octadecanoate octadecanoic acid [4-[4-oxo-7-(1-oxooctadecoxy)-1-benzopyran-3-yl]phenyl] ester [4-(7-octadecanoyloxy-4-oxochromen-3-yl)phenyl] octadecanoate [4-(7-octadecanoyloxy-4-oxo-chromen-3-yl)phenyl] octadecanoate [4-(7-octadecanoyloxy-4-oxidanylidene-chromen-3-yl)phenyl] octadecanoate
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C51H78O6
InChI InChI=1S/C51H78O6/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/h35-42H,3-34H2,1-2H3
InChIKey AWXFTEDLPZSJEF-UHFFFAOYSA-N
Molecular Weight 787.179 g/mol
SMILES C=1(C(c2c(cc(OC(=O)CCCCCCCCCCCCCCCCC)cc2)OC1)=O)c1ccc(OC(=O)CCCCCCCCCCCCCCCCC)cc1
SPLASH splash10-0udi-0090010000-54b154d8dfb72c6c97d1
Source of Spectrum F-56-7809-5
Wiley ID 858605