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Pentatrimethylsilyl-trans-5-O-coumaroyl-D-quinic acid
SpectraBase Compound ID IjEOVTHXmiH
InChI InChI=1S/C31H58O8Si5/c1-40(2,3)35-25-19-16-24(17-20-25)18-21-28(32)34-26-22-31(39-44(13,14)15,30(33)38-43(10,11)12)23-27(36-41(4,5)6)29(26)37-42(7,8)9/h16-21,26-27,29H,22-23H2,1-15H3/b21-18+/t26-,27-,29-,31+/m1/s1
InChIKey NJXINYMXFRUJJM-RKTURZQJSA-N
Mol Weight 699.2 g/mol
Molecular Formula C31H58O8Si5
Exact Mass 698.297801 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7ZlCnmxZ5iF
Name Pentatrimethylsilyl-trans-5-O-coumaroyl-D-quinic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C31H58O8Si5
InChI InChI=1S/C31H58O8Si5/c1-40(2,3)35-25-19-16-24(17-20-25)18-21-28(32)34-26-22-31(39-44(13,14)15,30(33)38-43(10,11)12)23-27(36-41(4,5)6)29(26)37-42(7,8)9/h16-21,26-27,29H,22-23H2,1-15H3/b21-18+/t26-,27-,29-,31+/m1/s1
InChIKey NJXINYMXFRUJJM-RKTURZQJSA-N
Molecular Weight 699.222 g/mol
SMILES [C@@]1(C(O[Si](C)(C)C)=O)(C[C@@](O[Si](C)(C)C)([C@@]([C@@](C1)(OC(\C=C\c1ccc(O[Si](C)(C)C)cc1)=O)[H])(O[Si](C)(C)C)[H])[H])O[Si](C)(C)C
SPLASH splash10-00kb-1497000000-195f63486a2e8c88d2c4
Source of Spectrum O-31-602-0
Synonyms Trimethylsilyl (1S,3R,4R,5R)-1,3,4-tris[(trimethylsilyl)oxy]-5-[((2E)-3-{4-[(trimethylsilyl)oxy]phenyl}-2-propenoyl)oxy]cyclohexanecarboxylate
Wiley ID 1414985