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Pentatrimethylsilyl-5-O-caffeoyl-D-quinic acid ethyl ester
SpectraBase Compound ID HhobKNahbgV
InChI InChI=1S/C33H62O9Si5/c1-17-36-32(35)33(42-47(14,15)16)23-28(31(41-46(11,12)13)29(24-33)40-45(8,9)10)37-30(34)21-19-25-18-20-26(38-43(2,3)4)27(22-25)39-44(5,6)7/h18-22,28-29,31H,17,23-24H2,1-16H3/b21-19+/t28-,29?,31-,33+/m0/s1
InChIKey CQNMLXSULFZKSY-RWZQCJOSSA-N
Mol Weight 743.3 g/mol
Molecular Formula C33H62O9Si5
Exact Mass 742.324016 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3CwNikKBmfE
Name Pentatrimethylsilyl-5-O-caffeoyl-D-quinic acid ethyl ester
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Formula C33H62O9Si5
InChI InChI=1S/C33H62O9Si5/c1-17-36-32(35)33(42-47(14,15)16)23-28(31(41-46(11,12)13)29(24-33)40-45(8,9)10)37-30(34)21-19-25-18-20-26(38-43(2,3)4)27(22-25)39-44(5,6)7/h18-22,28-29,31H,17,23-24H2,1-16H3/b21-19+/t28-,29?,31-,33+/m0/s1
InChIKey CQNMLXSULFZKSY-RWZQCJOSSA-N
Molecular Weight 743.275 g/mol
SMILES [C@@]1(CC(O[Si](C)(C)C)[C@]([C@](C1)(OC(\C=C\c1cc(O[Si](C)(C)C)c(cc1)O[Si](C)(C)C)=O)[H])(O[Si](C)(C)C)[H])(C(=O)OCC)O[Si](C)(C)C
SPLASH splash10-0abc-2019000500-4ec6407982892be1be1e
Source of Spectrum O-31-602-0
Synonyms Ethyl (1R,3S,4S,5S)-3-[((2E)-3-{3,4-bis[(trimethylsilyl)oxy]phenyl}-2-propenoyl)oxy]-1,4,5-tris[(trimethylsilyl)oxy]cyclohexanecarboxylate
Wiley ID 1416145