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D-ribo-[1,1-2H-1,2-13C]phytophingosine tetraacetate
SpectraBase Compound ID 6rtFhz2mrQw
InChI InChI=1S/C26H47NO7/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-25(33-22(4)30)26(34-23(5)31)24(27-20(2)28)19-32-21(3)29/h24-26H,6-19H2,1-5H3,(H,27,28)/t24-,25+,26-/m0/s1/i19+1D2,24+1
InChIKey SGTYQWGEVAMVKB-MECAYKQOSA-N
Mol Weight 489.7 g/mol
Molecular Formula C2413C2H45D2NO7
Exact Mass 489.354516 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID M7vudujwjj
Name D-ribo-[1,1-2H-1,2-13C]phytophingosine tetraacetate
Comments Original formula: C24[13C]2H45D2NO7
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Formula C26H47NO7
InChI InChI=1S/C26H47NO7/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-25(33-22(4)30)26(34-23(5)31)24(27-20(2)28)19-32-21(3)29/h24-26H,6-19H2,1-5H3,(H,27,28)/t24-,25+,26-/m0/s1/i19+1D2,24+1
InChIKey SGTYQWGEVAMVKB-MECAYKQOSA-N
Molecular Weight 489.659 g/mol
SMILES [13C@]([H])([13C](OC(=O)C)([D])[D])([C@@]([C@](OC(=O)C)(CCCCCCCCCCCCCC)[H])(OC(=O)C)[H])NC(=O)C
SPLASH splash10-052k-4935000000-07faf4f10de7947579d8
Source of Spectrum QC-10-1706-13
Wiley ID 871347