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Myricetin, hexa-TMS

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Myricetin, hexa-TMS
SpectraBase Compound ID ERnewkkDOqq
InChI InChI=1S/C33H58O8Si6/c1-42(2,3)36-24-21-25-29(26(22-24)37-43(4,5)6)30(34)33(41-47(16,17)18)31(35-25)23-19-27(38-44(7,8)9)32(40-46(13,14)15)28(20-23)39-45(10,11)12/h19-22H,1-18H3
InChIKey QWDLZFLTUKTITG-UHFFFAOYSA-N
Mol Weight 751.3 g/mol
Molecular Formula C33H58O8Si6
Exact Mass 750.274728 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4LN2t7yNj67
Name Myricetin 6tms
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 750.274728030 u
Formula C33H58O8Si6
InChI InChI=1S/C33H58O8Si6/c1-42(2,3)36-24-21-25-29(26(22-24)37-43(4,5)6)30(34)33(41-47(16,17)18)31(35-25)23-19-27(38-44(7,8)9)32(40-46(13,14)15)28(20-23)39-45(10,11)12/h19-22H,1-18H3
InChIKey QWDLZFLTUKTITG-UHFFFAOYSA-N
Molecular Weight 751.329 g/mol
SMILES C1(=C(C(C=2C(O1)=CC(=CC2O[Si](C)(C)C)O[Si](C)(C)C)=O)O[Si](C)(C)C)C1=CC(=C(C(=C1)O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C