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methyl [methyl 5-acetamido-3,5-dideoxy-4-C-methyl-8,9-O-(methylethylidene)-.beta.-D-glycero-D-talo-nonulopyranosid]onate
SpectraBase Compound ID KAI8m4nmyPk
InChI InChI=1S/C17H29NO9/c1-9(19)18-13-12(11(20)10-7-25-15(2,3)26-10)27-17(24-6,14(21)23-5)8-16(13,4)22/h10-13,20,22H,7-8H2,1-6H3,(H,18,19)/t10?,11-,12+,13+,16+,17-/m1/s1
InChIKey LXEZDPPJTDUEND-AQHFCVRNSA-N
Mol Weight 391.42 g/mol
Molecular Formula C17H29NO9
Exact Mass 391.184232 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LtdhiNks88a
Name methyl [methyl 5-acetamido-3,5-dideoxy-4-C-methyl-8,9-O-(methylethylidene)-.beta.-D-glycero-D-talo-nonulopyranosid]onate
Alternate Name(s) methyl (2R,4S,5S)-6-[(S)-(2,2-dimethyl-1,3-dioxolan-4-yl)(hydroxy)methyl]-5-acetamido-4-hydroxy-2-methoxy-4-methyloxane-2-carboxylate Methyl[methyl 5-acetamido-3,5-dideoxy-4-c-methyl-8,9-O-(methylethylidene)-.beta.-D-glycero-D-talo-nonulopyranosid]onate777
Comments Less than 3 mono-isotopic peaks
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Formula C17H29NO9
InChI InChI=1S/C17H29NO9/c1-9(19)18-13-12(11(20)10-7-25-15(2,3)26-10)27-17(24-6,14(21)23-5)8-16(13,4)22/h10-13,20,22H,7-8H2,1-6H3,(H,18,19)/t10?,11-,12+,13+,16+,17-/m1/s1
InChIKey LXEZDPPJTDUEND-AQHFCVRNSA-N
Molecular Weight 391.417 g/mol
SMILES N([C@@]1([C@](C[C@@](O[C@]1([C@@](C1OC(C)(C)OC1)(O)[H])[H])(C(=O)OC)OC)(O)C)[H])C(=O)C
SPLASH splash10-0006-0009000000-cfb97045ace0fb180dfc
Source of Spectrum AH-122-118-3
Wiley ID 1365279