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4,5-Dihydroxy-3-tosylamino-D-xylo-hexanal-((2R,3R)-tartaricacid-dimethylester-acetal)
SpectraBase Compound ID 60K24jWAre1
InChI InChI=1S/C19H27NO10S/c1-10-5-7-12(8-6-10)31(25,26)20-13(15(22)11(2)21)9-14-29-16(18(23)27-3)17(30-14)19(24)28-4/h5-8,11,13-17,20-22H,9H2,1-4H3/t11-,13+,15+,16-,17-/m1/s1
InChIKey VHSZETFASPLTHO-HIDABVQQSA-N
Mol Weight 461.48 g/mol
Molecular Formula C19H27NO10S
Exact Mass 461.135567 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID dJAn5IE8u
Name 4,5-Dihydroxy-3-tosylamino-D-xylo-hexanal-((2R,3R)-tartaricacid-dimethylester-acetal)
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H27NO10S
InChI InChI=1S/C19H27NO10S/c1-10-5-7-12(8-6-10)31(25,26)20-13(15(22)11(2)21)9-14-29-16(18(23)27-3)17(30-14)19(24)28-4/h5-8,11,13-17,20-22H,9H2,1-4H3/t11-,13+,15+,16-,17-/m1/s1
InChIKey VHSZETFASPLTHO-HIDABVQQSA-N
Literature Reference DOI 10.1002/cber.19801130438
Molecular Weight 461.482 g/mol
SMILES C(=O)(OC)[C@]1([C@@](OC(C[C@@]([C@]([C@@](C)(O)[H])(O)[H])(NS(c2ccc(cc2)C)(=O)=O)[H])O1)(C(OC)=O)[H])[H]
SPLASH splash10-000i-4914000000-025bcae777a2fca6b2fd
Source of Spectrum K-113-1601-9
Synonyms Dimethyl (4R,5R)-2-((2S,3R,4R)-3,4-dihydroxy-2-((4-methylphenyl)sulfonamido)pentyl)-1,3-dioxolane-4,5-dicarboxylate
Wiley ID 1792712