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Pedalitin, tetra-TMS
SpectraBase Compound ID K6uzrK7wOLd
InChI InChI=1S/C28H44O7Si4/c1-30-25-18-24-26(28(35-39(11,12)13)27(25)34-38(8,9)10)20(29)17-22(31-24)19-14-15-21(32-36(2,3)4)23(16-19)33-37(5,6)7/h14-18H,1-13H3
InChIKey XDZJJPIHZVDAGE-UHFFFAOYSA-N
Mol Weight 605.0 g/mol
Molecular Formula C28H44O7Si4
Exact Mass 604.21641 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Hymcb59innO
Name Pedalitin, tetra-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 604.216409890 u
Formula C28H44O7Si4
GC Column HP-5ms (30 m × 0.25 mm ID x 0.25 μm film thickness)
InChI InChI=1S/C28H44O7Si4/c1-30-25-18-24-26(28(35-39(11,12)13)27(25)34-38(8,9)10)20(29)17-22(31-24)19-14-15-21(32-36(2,3)4)23(16-19)33-37(5,6)7/h14-18H,1-13H3
InChIKey XDZJJPIHZVDAGE-UHFFFAOYSA-N
Molecular Weight 604.993 g/mol
Nominal Mass 604 u
Number of Peaks 165
SMILES c1(c(ccc(c1)C=1Oc2cc(c(c(c2C(C1)=O)O[Si](C)(C)C)O[Si](C)(C)C)OC)O[Si](C)(C)C)O[Si](C)(C)C
SPLASH splash10-000l-0000190000-35fb92687497a0774765
Source J. Nazaruk; Cirsium palustre leaves
Source of Spectrum Biologically and Environmentally Important Organic Compounds: GCMS Library
Synonyms 3',4'5,6-Tetrahydroxy-7-methoxyflavone, tetra-TMS
Wiley ID VI001418