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Metabolite hl, reduced, methyl ester, tms ether derivative
SpectraBase Compound ID LixTROBU65X
InChI InChI=1S/C27H58O7Si3/c1-30-26(28)20-16-19-23(32-35(3,4)5)17-14-12-13-15-18-24(33-36(6,7)8)21-25(22-27(29)31-2)34-37(9,10)11/h23-25H,12-22H2,1-11H3
InChIKey MUIJSAPXDAIYJB-UHFFFAOYSA-N
Mol Weight 579.0 g/mol
Molecular Formula C27H58O7Si3
Exact Mass 578.349034 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6Z7gCB8nPj1
Name Metabolite hl, reduced, methyl ester, tms ether derivative
Comments Computed using HOSE algorithm
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Exact Mass 578.349033806 u
Formula C27H58O7Si3
InChI InChI=1S/C27H58O7Si3/c1-30-26(28)20-16-19-23(32-35(3,4)5)17-14-12-13-15-18-24(33-36(6,7)8)21-25(22-27(29)31-2)34-37(9,10)11/h23-25H,12-22H2,1-11H3
InChIKey MUIJSAPXDAIYJB-UHFFFAOYSA-N
Molecular Weight 579.009 g/mol
SMILES C(C(=O)OC)C(CC(O[Si](C)(C)C)CCCCCCC(O[Si](C)(C)C)CCCC(=O)OC)O[Si](C)(C)C