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.beta.-D-Allofuranosiduronic acid, methyl 5-(acetylamino)-5-deoxy-, methyl ester, 2,3-diacetate
SpectraBase Compound ID 6hcqf7EDmFJ
InChI InChI=1S/C14H21NO9/c1-6(16)15-9(13(19)20)10-11(22-7(2)17)12(23-8(3)18)14(4,21-5)24-10/h9-12H,1-5H3,(H,15,16)(H,19,20)/t9-,10+,11+,12+,14+/m0/s1
InChIKey ULRURNVQVIKESN-WRYZSIRCSA-N
Mol Weight 347.32 g/mol
Molecular Formula C14H21NO9
Exact Mass 347.121631 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1JBtVSFgW1M
Name .beta.-D-Allofuranosiduronic acid, methyl 5-(acetylamino)-5-deoxy-, methyl ester, 2,3-diacetate
CAS Registry Number 127257-07-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H21NO9
InChI InChI=1S/C14H21NO9/c1-6(16)15-9(13(19)20)10-11(22-7(2)17)12(23-8(3)18)14(4,21-5)24-10/h9-12H,1-5H3,(H,15,16)(H,19,20)/t9-,10+,11+,12+,14+/m0/s1
InChIKey ULRURNVQVIKESN-WRYZSIRCSA-N
Molecular Weight 347.320 g/mol
SMILES OC([C@]([C@@]1([C@]([C@@](OC(=O)C)([C@@](O1)(OC)C)[H])(OC(=O)C)[H])[H])(NC(=O)C)[H])=O
SPLASH splash10-014i-0930000000-28c5f4532816f392ece5
Source of Spectrum J-55-3782-34
Synonyms Methyl (6R)-4,5-di-O-acetyl-2-(acetylamino)-2,7-dideoxy-L-allo-hept-6-ulofuranosidonic acid Methyl[methyl 5-(acetylamino)-5-deoxy-.beta.-D-allofuranosid]uronate,2,3-diacetate
Wiley ID 1339870