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(2R,3R,4R)-2-O-Methanesulfonyl-1,2,3,4-octadecanetetraol
SpectraBase Compound ID AkEvvW1zLe8
InChI InChI=1S/C19H40O6S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-17(21)19(22)18(16-20)25-26(2,23)24/h17-22H,3-16H2,1-2H3/t17-,18-,19-/m1/s1
InChIKey WGUHNEUPBLNWLP-GUDVDZBRSA-N
Mol Weight 396.6 g/mol
Molecular Formula C19H40O6S
Exact Mass 396.25456 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 58L76tUHXLM
Name (2R,3R,4R)-2-O-Methanesulfonyl-1,2,3,4-octadecanetetraol
Comments Less than 3 mono-isotopic peaks
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Formula C19H40O6S
InChI InChI=1S/C19H40O6S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-17(21)19(22)18(16-20)25-26(2,23)24/h17-22H,3-16H2,1-2H3/t17-,18-,19-/m1/s1
InChIKey WGUHNEUPBLNWLP-GUDVDZBRSA-N
Molecular Weight 396.583 g/mol
SMILES O[C@@]([C@]([C@](OS(=O)(=O)C)(CO)[H])(O)[H])(CCCCCCCCCCCCCC)[H]
SPLASH splash10-0udi-0009000000-601127d0c21d5d8c0471
Source of Spectrum F-52-2191-9
Synonyms (1R,2R,3R)-2,3-dihydroxy-1-(hydroxymethyl)heptadecyl methanesulfonate methanesulfonic acid [(2R,3R,4R)-1,3,4-trihydroxyoctadecan-2-yl] ester [(2R,3R,4R)-1,3,4-trihydroxyoctadecan-2-yl] methanesulfonate [(1R,2R,3R)-2,3-dihydroxy-1-(hydroxymethyl)heptadecyl] methanesulfonate [(2R,3R,4R)-1,3,4-tris(oxidanyl)octadecan-2-yl] methanesulfonate
Wiley ID 795108