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Pentatrimethylsilyl-trans-3-O-coumaroyl-D-quinic acid
SpectraBase Compound ID 95CL1XSdBiZ
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-BOQVHDAASA-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 AzkvV6i2g8u
Name Pentatrimethylsilyl-trans-3-O-coumaroyl-D-quinic acid
Alternate Name(s) Trimethylsilyl (1R,3R,4S,5R)-1,3,4-tris[(trimethylsilyl)oxy]-5-[((2E)-3-{4-[(trimethylsilyl)oxy]phenyl}-2-propenoyl)oxy]cyclohexanecarboxylate (1R,3R,4S,5R)-3-[(E)-1-oxo-3-(4-trimethylsilyloxyphenyl)prop-2-enoxy]-1,4,5-tris(trimethylsilyloxy)-1-cyclohexanecarboxylic acid trimethylsilyl ester Trimethylsilyl (1R,3R,4S,5R)-1,3,4-tris(trimethylsilyloxy)-5-[(E)-3-(4-trimethylsilyloxyphenyl)prop-2-enoyl]oxycyclohexane-1-carboxylate Trimethylsilyl (1R,3R,4S,5R)-1,3,4-tris(trimethylsilyloxy)-5-[(E)-3-(4-trimethylsilyloxyphenyl)prop-2-enoyl]oxy-cyclohexanecarboxylate Trimethylsilyl (1R,3R,4S,5R)-1,3,4-tris(trimethylsilyloxy)-5-[(E)-3-(4-trimethylsilyloxyphenyl)prop-2-enoyl]oxy-cyclohexane-1-carboxylate
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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-BOQVHDAASA-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-1295000000-a155a84c6b34ca1b044a
Source of Spectrum O-31-602-0
Wiley ID 1414983