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N-Stearoyl-D-erythro-sphingosine, 3tms derivative

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N-Stearoyl-D-erythro-sphingosine, 3tms derivative
SpectraBase Compound ID 7JpCkyE8rSM
InChI InChI=1S/C45H95NO3Si3/c1-12-14-16-18-20-22-24-26-27-29-31-33-35-37-39-41-45(47)46(50(3,4)5)43(42-48-51(6,7)8)44(49-52(9,10)11)40-38-36-34-32-30-28-25-23-21-19-17-15-13-2/h38,40,43-44H,12-37,39,41-42H2,1-11H3/b40-38+/t43-,44+/m0/s1
InChIKey MHZACEWUWATRTR-JVXAVJMUSA-N
Mol Weight 782.5 g/mol
Molecular Formula C45H95NO3Si3
Exact Mass 781.661976 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EYzEsnbcfJy
Name N-Stearoyl-D-erythro-sphingosine, 3tms derivative
Comments Computed using HOSE algorithm
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Exact Mass 781.661975525 u
Formula C45H95NO3Si3
InChI InChI=1S/C45H95NO3Si3/c1-12-14-16-18-20-22-24-26-27-29-31-33-35-37-39-41-45(47)46(50(3,4)5)43(42-48-51(6,7)8)44(49-52(9,10)11)40-38-36-34-32-30-28-25-23-21-19-17-15-13-2/h38,40,43-44H,12-37,39,41-42H2,1-11H3/b40-38+/t43-,44+/m0/s1
InChIKey MHZACEWUWATRTR-JVXAVJMUSA-N
Molecular Weight 782.514 g/mol
SMILES C(CCCCCCCCCCCCCCCCC)(=O)N([C@]([C@@](\C=C\CCCCCCCCCCCCC)(O[Si](C)(C)C)[H])(CO[Si](C)(C)C)[H])[Si](C)(C)C