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2-(methylthio)-6-[[(2R,3R,4S,5R,6R)-3,4,5-triacetoxy-6-(acetoxymethyl)tetrahydropyran-2-yl]amino]pyridine-3,4-dicarboxylic acid dimethyl ester
SpectraBase Compound ID JfsrdIAz5uM
InChI InChI=1S/C24H30N2O13S/c1-10(27)35-9-15-18(36-11(2)28)19(37-12(3)29)20(38-13(4)30)21(39-15)25-16-8-14(23(31)33-5)17(24(32)34-6)22(26-16)40-7/h8,15,18-21H,9H2,1-7H3,(H,25,26)/t15-,18-,19+,20-,21-/m1/s1
InChIKey CDIGVULSSIOWTA-CMWLGVBASA-N
Mol Weight 586.57 g/mol
Molecular Formula C24H30N2O13S
Exact Mass 586.14686 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1vetLgeikwv
Name 2-(methylthio)-6-[[(2R,3R,4S,5R,6R)-3,4,5-triacetoxy-6-(acetoxymethyl)tetrahydropyran-2-yl]amino]pyridine-3,4-dicarboxylic acid dimethyl ester
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Formula C24H30N2O13S
InChI InChI=1S/C24H30N2O13S/c1-10(27)35-9-15-18(36-11(2)28)19(37-12(3)29)20(38-13(4)30)21(39-15)25-16-8-14(23(31)33-5)17(24(32)34-6)22(26-16)40-7/h8,15,18-21H,9H2,1-7H3,(H,25,26)/t15-,18-,19+,20-,21-/m1/s1
InChIKey CDIGVULSSIOWTA-CMWLGVBASA-N
Molecular Weight 586.565 g/mol
SMILES N(c1nc(SC)c(c(c1)C(=O)OC)C(=O)OC)[C@]1([C@@]([C@]([C@](OC(=O)C)([C@](O1)(COC(=O)C)[H])[H])(OC(=O)C)[H])(OC(=O)C)[H])[H]
SPLASH splash10-0006-9010000000-10081459ae2d7bd77812
Source of Spectrum F-52-5852-7
Synonyms 2-(methylthio)-6-[[(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)-2-oxanyl]amino]pyridine-3,4-dicarboxylic acid dimethyl ester Dimethyl 2-methylsulfanyl-6-[[(2R,3R,4S,5R,6R)-3,4,5-triacetoxy-6-(acetoxymethyl)tetrahydropyran-2-yl]amino]pyridine-3,4-dicarboxylate Dimethyl 2-methylsulfanyl-6-[[(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]amino]pyridine-3,4-dicarboxylate
Wiley ID 796225