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4,5-Dicarbomethoxy-6-meththio-2-(tri-O-acetyl-.beta.-D-xylopyranosylamino)pyridine
SpectraBase Compound ID Gq5yW2KrEYt
InChI InChI=1S/C21H26N2O11S/c1-9(24)32-13-8-31-18(17(34-11(3)26)16(13)33-10(2)25)22-14-7-12(20(27)29-4)15(21(28)30-5)19(23-14)35-6/h7,13,16-18H,8H2,1-6H3,(H,22,23)/t13-,16+,17-,18-/m1/s1
InChIKey LFDCNQOCCUHHLV-BVPBIZIASA-N
Mol Weight 514.5 g/mol
Molecular Formula C21H26N2O11S
Exact Mass 514.125731 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3vEb95MTRkV
Name 4,5-Dicarbomethoxy-6-meththio-2-(tri-O-acetyl-.beta.-D-xylopyranosylamino)pyridine
Alternate Name(s) 2,3,4-tri-O-acetyl-N-[4,5-bis(methoxycarbonyl)-6-(methylsulfanyl)-2-pyridinyl]-.beta.-D-xylopyranosylamine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H26N2O11S
InChI InChI=1S/C21H26N2O11S/c1-9(24)32-13-8-31-18(17(34-11(3)26)16(13)33-10(2)25)22-14-7-12(20(27)29-4)15(21(28)30-5)19(23-14)35-6/h7,13,16-18H,8H2,1-6H3,(H,22,23)/t13-,16+,17-,18-/m1/s1
InChIKey LFDCNQOCCUHHLV-BVPBIZIASA-N
Molecular Weight 514.502 g/mol
SMILES N([C@]1([C@@]([C@@](OC(=O)C)([C@@](CO1)(OC(=O)C)[H])[H])(OC(=O)C)[H])[H])c1cc(c(c(n1)SC)C(=O)OC)C(=O)OC
SPLASH splash10-0006-9000000000-8e38466cc28139d263a9
Source of Spectrum F-52-5852-7
Wiley ID 796226