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4'-Methylphenyl[Methyl 2,3-O-isopropylidene-5-(toluene-4-sulfonamido)-5-deoxy-.alpha.,L-talofuranoside]thiouronate
SpectraBase Compound ID 82kb19esLUw
InChI InChI=1S/C24H29NO7S2/c1-14-6-10-16(11-7-14)33-22(26)18(25-34(27,28)17-12-8-15(2)9-13-17)19-20-21(23(29-5)30-19)32-24(3,4)31-20/h6-13,18-21,23,25H,1-5H3/t18-,19?,20-,21-,23?/m1/s1
InChIKey ALRAIXMVTXHFEL-OEMITHLSSA-N
Mol Weight 507.62 g/mol
Molecular Formula C24H29NO7S2
Exact Mass 507.138545 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3w8KVgeCLw
Name 4'-Methylphenyl[Methyl 2,3-O-isopropylidene-5-(toluene-4-sulfonamido)-5-deoxy-.alpha.,L-talofuranoside]thiouronate
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Formula C24H29NO7S2
InChI InChI=1S/C24H29NO7S2/c1-14-6-10-16(11-7-14)33-22(26)18(25-34(27,28)17-12-8-15(2)9-13-17)19-20-21(23(29-5)30-19)32-24(3,4)31-20/h6-13,18-21,23,25H,1-5H3/t18-,19?,20-,21-,23?/m1/s1
InChIKey ALRAIXMVTXHFEL-OEMITHLSSA-N
Molecular Weight 507.616 g/mol
SMILES N([C@](C1[C@@]2([C@@](OC(O2)(C)C)(C(O1)OC)[H])[H])(C(Sc1ccc(cc1)C)=O)[H])S(c1ccc(cc1)C)(=O)=O
SPLASH splash10-0596-6901100000-e253c5ad9fb272732d71
Source of Spectrum J-60-6439-41
Synonyms Methyl S-4-methylphenyl 5-deoxy-2,3-O-(1-methylethylidene)-5-{[(4-methylphenyl)sulfonyl]amino}-6-thio-L-lyxo-hexofuranosiduronate
Wiley ID 1400006