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

*Links on SpectraBase are not permalinks.
Biochanin A, di-TMS
SpectraBase Compound ID BdoLJLtIR0d
InChI InChI=1S/C22H28O5Si2/c1-24-16-10-8-15(9-11-16)18-14-25-19-12-17(26-28(2,3)4)13-20(21(19)22(18)23)27-29(5,6)7/h8-14H,1-7H3
InChIKey NIHYOBJCZCNUIB-UHFFFAOYSA-N
Mol Weight 428.63 g/mol
Molecular Formula C22H28O5Si2
Exact Mass 428.147527 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 3cu8pZAu2kQ
Name 5,7-Dihydroxy-4'-methoxyisoflavone, 2TMS
Comments Derivatization type: 2 TMS (mass: 428.148); CC-BY: Oliver Fiehn, University of California, Davis; MoNA-ID: FiehnLib000581; Note: The molecular formula of the structure shown is C16H12O5 - which differs from the formula reported for the mass spectrum (C22H28O5Si2)
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H28O5Si2
InChI InChI=1S/C22H28O5Si2/c1-24-16-10-8-15(9-11-16)18-14-25-19-12-17(26-28(2,3)4)13-20(21(19)22(18)23)27-29(5,6)7/h8-14H,1-7H3
InChIKey NIHYOBJCZCNUIB-UHFFFAOYSA-N
Molecular Weight 428.631 g/mol
SMILES COc1ccc(cc1)C1=COc2cc(cc(c2C1=O)O[Si](C)(C)C)O[Si](C)(C)C
SPLASH splash10-03di-1933600000-aa5339767b0b48f3f8da
Source of Spectrum FM-2019-581-0
Synonyms biochanin A, 2TMS Biochanin, 2TMS olmelin, 2TMS Biochanine A, 2TMS Biochanin-A, 2TMS 4'-Methylgenistein, 2TMS 5,7-Dihydroxy-3-(4-methoxyphenyl)chromen-4-one, 2TMS 5,7-Dihydroxy-4'methoxyisoflavone, 2TMS 3-(4-Methoxyphenyl)-5,7-bis((trimethylsilyl)oxy)-4H-chromen-4-one
Wiley ID 1818262