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Taxifolin, penta-TMS
SpectraBase Compound ID 5okruFmmcjv
InChI InChI=1S/C30H52O7Si5/c1-38(2,3)33-22-19-25-27(26(20-22)36-41(10,11)12)28(31)30(37-42(13,14)15)29(32-25)21-16-17-23(34-39(4,5)6)24(18-21)35-40(7,8)9/h16-20,29-30H,1-15H3
InChIKey IKYLHXAIAMZBEL-UHFFFAOYSA-N
Mol Weight 665.2 g/mol
Molecular Formula C30H52O7Si5
Exact Mass 664.255937 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Dvu6QVClYxT
Name taxifolin, 5TMS
Comments Derivatization type: 5 TMS (mass: 664.256); CC-BY: Oliver Fiehn, University of California, Davis; MoNA-ID: FiehnLib000796; Note: The molecular formula of the structure shown is C15H12O7 - which differs from the formula reported for the mass spectrum (C30H52O7Si5)
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C30H52O7Si5
InChI InChI=1S/C30H52O7Si5/c1-38(2,3)33-22-19-25-27(26(20-22)36-41(10,11)12)28(31)30(37-42(13,14)15)29(32-25)21-16-17-23(34-39(4,5)6)24(18-21)35-40(7,8)9/h16-20,29-30H,1-15H3
InChIKey IKYLHXAIAMZBEL-UHFFFAOYSA-N
Molecular Weight 665.164 g/mol
SMILES c1cc(c(cc1C1C(C(c2c(cc(cc2O1)O[Si](C)(C)C)O[Si](C)(C)C)=O)O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C
SPLASH splash10-014i-0859000000-8acbda7d9a64d1bb7a1e
Source of Spectrum FM-2019-796-0
Synonyms dihydroquercetin, 5TMS dihydro quercetin, 5TMS (+/-)-Taxifolin, 5TMS NSC2801, 5TMS STO167, 5TMS CPD-474, 5TMS 2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxychroman-4-one, 5TMS 2-(3,4-bis((trimethylsilyl)oxy)phenyl)-3,5,7-tris((trimethylsilyl)oxy)chroman-4-one
Wiley ID 1818470