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Methyl 2,3,4-Tri-O-acetyl-6-deoxy-6-thioureido-.alpha.-D-galactopyranoside
SpectraBase Compound ID EXtYnRkao65
InChI InChI=1S/C14H22N2O8S/c1-6(17)21-10-9(5-16-14(15)25)24-13(20-4)12(23-8(3)19)11(10)22-7(2)18/h9-13H,5H2,1-4H3,(H3,15,16,25)/t9-,10+,11+,12-,13+/m1/s1
InChIKey ABDJIISYQJOKCT-SJHCENCUSA-N
Mol Weight 378.4 g/mol
Molecular Formula C14H22N2O8S
Exact Mass 378.109687 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8JQ6jJX0sLZ
Name Methyl 2,3,4-Tri-O-acetyl-6-deoxy-6-thioureido-.alpha.-D-galactopyranoside
Alternate Name(s) Methyl 2,3,4-tri-O-acetyl-6-[(aminocarbothioyl)amino]-6-deoxy-.alpha.-D-galactopyranoside
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Formula C14H22N2O8S
InChI InChI=1S/C14H22N2O8S/c1-6(17)21-10-9(5-16-14(15)25)24-13(20-4)12(23-8(3)19)11(10)22-7(2)18/h9-13H,5H2,1-4H3,(H3,15,16,25)/t9-,10+,11+,12-,13+/m1/s1
InChIKey ABDJIISYQJOKCT-SJHCENCUSA-N
Molecular Weight 378.396 g/mol
SMILES N(C(=S)N)C[C@]1(O[C@@]([C@@]([C@]([C@]1(OC(=O)C)[H])(OC(=O)C)[H])(OC(=O)C)[H])(OC)[H])[H]
SPLASH splash10-014i-0009000000-a4f172dd1ba386d8c284
Source of Spectrum F-52-12958-6
Wiley ID 799305