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Xanthohumol, tri-TMS
SpectraBase Compound ID FF83cGM6mW9
InChI InChI=1S/C30H46O5Si3/c1-22(2)13-19-25-27(34-37(7,8)9)21-28(32-3)29(30(25)35-38(10,11)12)26(31)20-16-23-14-17-24(18-15-23)33-36(4,5)6/h13-18,20-21H,19H2,1-12H3/b20-16+
InChIKey HRINEEXEIFHSSP-CAPFRKAQSA-N
Mol Weight 570.9 g/mol
Molecular Formula C30H46O5Si3
Exact Mass 570.265304 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6VNUXwEIts8
Name Xanthohumol, tri-TMS
Copyright Database Compilation Copyright © 2023-2024 John Wiley and Sons, Inc. Copyright © 2023-2024 John Wiley and Sons, Inc., Portions Copyright Wiley-VCH GmbH, Adams Library under license from Diablo Analytical. All Rights Reserved.
Exact Mass 570.265304181 u
Formula C30H46O5Si3
GC Column HP-5ms (30 m × 0.25 mm ID x 0.25 μm film thickness)
InChI InChI=1S/C30H46O5Si3/c1-22(2)13-19-25-27(34-37(7,8)9)21-28(32-3)29(30(25)35-38(10,11)12)26(31)20-16-23-14-17-24(18-15-23)33-36(4,5)6/h13-18,20-21H,19H2,1-12H3/b20-16+
InChIKey HRINEEXEIFHSSP-CAPFRKAQSA-N
Molecular Weight 570.948 g/mol
Nominal Mass 570 u
Number of Peaks 107
SMILES c1c(ccc(c1)\C=C\C(c1c(c(c(cc1OC)O[Si](C)(C)C)CC=C(C)C)O[Si](C)(C)C)=O)O[Si](C)(C)C
SPLASH splash10-0a4i-1012190000-30beb9b7922a617c23d9
Source Cayman Chemical
Source of Spectrum Biologically and Environmentally Important Organic Compounds: GCMS Library
Wiley ID VI001475