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1,3,2(-tri-o-Trimethylsilyl-N-(2(-hydroxy-3-pentacosenoyl)sphingosine
SpectraBase Compound ID LKz1mJSTOlr
InChI InChI=1S/C52H107NO4Si3/c1-12-14-16-18-20-22-24-26-27-28-29-30-31-32-33-34-36-37-39-41-43-45-47-49(55-58(3,4)5)51(54)53-52(57-60(9,10)11)50(56-59(6,7)8)48-46-44-42-40-38-35-25-23-21-19-17-15-13-2/h45-50,52H,12-44H2,1-11H3,(H,53,54)/b47-45+,48-46+
InChIKey KBTKLUHTHAFELZ-MLGMXDONSA-N
Mol Weight 894.7 g/mol
Molecular Formula C52H107NO4Si3
Exact Mass 893.750791 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HjBVGlhr5eR
Name 1,3,2(-tri-o-Trimethylsilyl-N-(2(-hydroxy-3-pentacosenoyl)sphingosine
Comments Computed using HOSE algorithm
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Exact Mass 893.750790530 u
Formula C52H107NO4Si3
InChI InChI=1S/C52H107NO4Si3/c1-12-14-16-18-20-22-24-26-27-28-29-30-31-32-33-34-36-37-39-41-43-45-47-49(55-58(3,4)5)51(54)53-52(57-60(9,10)11)50(56-59(6,7)8)48-46-44-42-40-38-35-25-23-21-19-17-15-13-2/h45-50,52H,12-44H2,1-11H3,(H,53,54)/b47-45+,48-46+
InChIKey KBTKLUHTHAFELZ-MLGMXDONSA-N
Molecular Weight 894.686 g/mol
SMILES C(NC(C(\C=C\CCCCCCCCCCCCCCCCCCCCCC)O[Si](C)(C)C)=O)(O[Si](C)(C)C)C(\C=C\CCCCCCCCCCCCC)O[Si](C)(C)C