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D-erythro-sphingosine, 3TMS
SpectraBase Compound ID CGPmVamAzAp
InChI InChI=1S/C27H61NO2Si3/c1-11-12-13-14-15-16-17-18-19-20-21-22-23-24-27(30-33(8,9)10)26(28-31(2,3)4)25-29-32(5,6)7/h23-24,26-28H,11-22,25H2,1-10H3/b24-23+/t26-,27+/m0/s1
InChIKey UFCFWNODJAIHHI-YIUMIABQSA-N
Mol Weight 516.0 g/mol
Molecular Formula C27H61NO2Si3
Exact Mass 515.40101 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JsTVAtDG8ut
Name D-erythro-sphingosine, 3TMS
Alternate Name(s) sphingosine, 3TMS Sphingenine, 3TMS Sphingoid, 3TMS Sphing-4-enine, 3TMS D-Sphingosine, 3TMS ceramide, 3TMS cerebroside, 3TMS 4-Sphingenine, 3TMS Erythrosphingosine, 3TMS (4E)-Sphingenine, 3TMS C18-Sphingosine, 3TMS trans-4-Sphingenine, 3TMS D-erythro-Sphingosine, 3TMS (2S,3R)-2-aminooctadec-4-ene-1,3-diol, 3TMS (4R,5S)-2,2,8,8-tetramethyl-4-((E)-pentadec-1-en-1-yl)-N-(trimethylsilyl)-3,7-dioxa-2,8-disilanonan-5-amine
Comments Derivatization type: 3 TMS (mass: 515.401); CC-BY: Oliver Fiehn, University of California, Davis; MoNA-ID: FiehnLib000697; Note: The molecular formula of the structure shown is C18H37NO2 - which differs from the formula reported for the mass spectrum (C27H61NO2Si3)
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Formula C27H61NO2Si3
InChI InChI=1S/C27H61NO2Si3/c1-11-12-13-14-15-16-17-18-19-20-21-22-23-24-27(30-33(8,9)10)26(28-31(2,3)4)25-29-32(5,6)7/h23-24,26-28H,11-22,25H2,1-10H3/b24-23+/t26-,27+/m0/s1
InChIKey UFCFWNODJAIHHI-YIUMIABQSA-N
Molecular Weight 516.045 g/mol
SMILES N([C@@](CO[Si](C)(C)C)([C@@](\C=C\CCCCCCCCCCCCC)(O[Si](C)(C)C)[H])[H])[Si](C)(C)C
SPLASH splash10-0udi-0690000000-9ed3190e406f4e0b00e8
Source of Spectrum FM-2019-697-0
Wiley ID 1818375