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methyl [methyl 5-acetamido-7-O-acetyl-3,5-dideoxy-4-C-methyl-8,9-O-(methylethylidene)-.beta.-D-glycero-D-talo-nonulopyranosid]onate777
SpectraBase Compound ID mDDlpeYO1R
InChI InChI=1S/C19H31NO10/c1-10-8-28-14(9-27-10)16(29-12(3)22)17-15(20-11(2)21)13(24-4)7-19(26-6,30-17)18(23)25-5/h10,13-17H,7-9H2,1-6H3,(H,20,21)/t10?,13?,14-,15?,16-,17?,19?/m1/s1
InChIKey QFSDCBOBHFWHID-ICKZHIDFSA-N
Mol Weight 433.45 g/mol
Molecular Formula C19H31NO10
Exact Mass 433.194796 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JV3fYeTSaoN
Name methyl [methyl 5-acetamido-7-O-acetyl-3,5-dideoxy-4-C-methyl-8,9-O-(methylethylidene)-.beta.-D-glycero-D-talo-nonulopyranosid]onate777
Alternate Name(s) methyl [methyl 5-acetamido-7-O-acetyl-3,5-dideoxy-4-C-methyl-8,9-O-(methylethylidene)-.beta.-D-glycero-D-galacto-2-nonulopyranosid]onate methyl 6-[(S)-(acetyloxy)[(2R)-5-methyl-1,4-dioxan-2-yl]methyl]-5-acetamido-2,4-dimethoxyoxane-2-carboxylate Methyl[methyl 5-acetamido-7-O-acetyl-3,5-dideoxy-4-c-methyl-8,9-O-(methylethylidene)-.beta.-D-glycero-D-galacto-2-nonulopyranosid]onate Methyl[methyl 5-acetamido-7-O-acetyl-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 C19H31NO10
InChI InChI=1S/C19H31NO10/c1-10-8-28-14(9-27-10)16(29-12(3)22)17-15(20-11(2)21)13(24-4)7-19(26-6,30-17)18(23)25-5/h10,13-17H,7-9H2,1-6H3,(H,20,21)/t10?,13?,14-,15?,16-,17?,19?/m1/s1
InChIKey QFSDCBOBHFWHID-ICKZHIDFSA-N
Molecular Weight 433.454 g/mol
SMILES N(C1C(OC(C(=O)OC)(OC)CC1OC)[C@@]([C@@]1(OCC(OC1)C)[H])(OC(=O)C)[H])C(=O)C
SPLASH splash10-001i-0000900000-b914ebdd087a33c538e5
Source of Spectrum AH-122-119-4
Wiley ID 1382618