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Phenyl-.beta.-D-glucuronide, 4tms derivative

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Phenyl-.beta.-D-glucuronide, 4tms derivative
SpectraBase Compound ID 4d8ymlkAzzI
InChI InChI=1S/C24H46O7Si4/c1-32(2,3)28-19-20(29-33(4,5)6)22(30-34(7,8)9)24(26-18-16-14-13-15-17-18)27-21(19)23(25)31-35(10,11)12/h13-17,19-22,24H,1-12H3/t19-,20-,21-,22+,24+/m0/s1
InChIKey SIIJWHXNPQTPNO-VZGLXOSZSA-N
Mol Weight 559.0 g/mol
Molecular Formula C24H46O7Si4
Exact Mass 558.23206 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5TGDMR6rEDa
Name Phenyl-.beta.-D-glucuronide, 4tms derivative
Comments Computed using HOSE algorithm
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Exact Mass 558.232059954 u
Formula C24H46O7Si4
InChI InChI=1S/C24H46O7Si4/c1-32(2,3)28-19-20(29-33(4,5)6)22(30-34(7,8)9)24(26-18-16-14-13-15-17-18)27-21(19)23(25)31-35(10,11)12/h13-17,19-22,24H,1-12H3/t19-,20-,21-,22+,24+/m0/s1
InChIKey SIIJWHXNPQTPNO-VZGLXOSZSA-N
Molecular Weight 558.965 g/mol
SMILES [C@@]1([C@]([C@@]([C@]([C@@](O1)(OC1=CC=CC=C1)[H])(O[Si](C)(C)C)[H])(O[Si](C)(C)C)[H])(O[Si](C)(C)C)[H])(C(=O)O[Si](C)(C)C)[H]