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1,3,2(-tri-o-Trimethylsilyl-N-(2(-hydroxydocosanoyl) sphingosine

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1,3,2(-tri-o-Trimethylsilyl-N-(2(-hydroxydocosanoyl) sphingosine
SpectraBase Compound ID 5LG7oXgWbeM
InChI InChI=1S/C49H103NO4Si3/c1-12-14-16-18-20-22-24-26-27-28-29-30-31-33-34-36-38-40-42-44-46(52-55(3,4)5)48(51)50-49(54-57(9,10)11)47(53-56(6,7)8)45-43-41-39-37-35-32-25-23-21-19-17-15-13-2/h43,45-47,49H,12-42,44H2,1-11H3,(H,50,51)/b45-43+
InChIKey LNAKOKHCXBMDIS-SKKHQMBASA-N
Mol Weight 854.6 g/mol
Molecular Formula C49H103NO4Si3
Exact Mass 853.71949 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 21AbeewJGmt
Name 1,3,2(-tri-o-Trimethylsilyl-N-(2(-hydroxydocosanoyl) sphingosine
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 853.719490402 u
Formula C49H103NO4Si3
InChI InChI=1S/C49H103NO4Si3/c1-12-14-16-18-20-22-24-26-27-28-29-30-31-33-34-36-38-40-42-44-46(52-55(3,4)5)48(51)50-49(54-57(9,10)11)47(53-56(6,7)8)45-43-41-39-37-35-32-25-23-21-19-17-15-13-2/h43,45-47,49H,12-42,44H2,1-11H3,(H,50,51)/b45-43+
InChIKey LNAKOKHCXBMDIS-SKKHQMBASA-N
Molecular Weight 854.621 g/mol
SMILES C(NC(C(CCCCCCCCCCCCCCCCCCCCC)O[Si](C)(C)C)=O)(O[Si](C)(C)C)C(\C=C\CCCCCCCCCCCCC)O[Si](C)(C)C