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D-Gluconic acid, 2-(acetylnitrosoamino)-2-deoxy-, methyl ester, 3,4,5,6-tetraacetate
SpectraBase Compound ID 9tqQ9MEctYv
InChI InChI=1S/C17H24N2O12/c1-8(20)19(18-26)14(17(25)27-6)16(31-12(5)24)15(30-11(4)23)13(29-10(3)22)7-28-9(2)21/h13-16H,7H2,1-6H3/t13-,14-,15-,16?/m1/s1
InChIKey STOGOEFJKFYVIT-SLCRAUQTSA-N
Mol Weight 448.38 g/mol
Molecular Formula C17H24N2O12
Exact Mass 448.132924 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID H3kRJ4OTPb1
Name D-Gluconic acid, 2-(acetylnitrosoamino)-2-deoxy-, methyl ester, 3,4,5,6-tetraacetate
CAS Registry Number 54925-01-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H24N2O12
InChI InChI=1S/C17H24N2O12/c1-8(20)19(18-26)14(17(25)27-6)16(31-12(5)24)15(30-11(4)23)13(29-10(3)22)7-28-9(2)21/h13-16H,7H2,1-6H3/t13-,14-,15-,16?/m1/s1
InChIKey STOGOEFJKFYVIT-SLCRAUQTSA-N
Molecular Weight 448.381 g/mol
SMILES [C@@](C([C@@]([C@](OC(=O)C)(COC(=O)C)[H])(OC(=O)C)[H])OC(=O)C)(N(N=O)C(=O)C)(C(=O)OC)[H]
SPLASH splash10-0006-9100000000-745473f1e518b8cdbe0c
Source of Spectrum AU-38-201-16
Synonyms Methyl 3,4,5,6-tetra-O-acetyl-2-(1-acetyl-2-oxohydrazino)-2-deoxy-D-ribo-hexonate Methyl 3,4,5,6-tetra-O-acetyl-2-deoxy-2-(n-nitroso)acetamido-D-gluconate
Wiley ID 1387047