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reduced and acetylated Neu5Ac
SpectraBase Compound ID AIssml2EWId
InChI InChI=1S/C21H29NO13/c1-9(23)22-18(15-7-16(21(29)35-15)31-11(3)25)20(34-14(6)28)19(33-13(5)27)17(32-12(4)26)8-30-10(2)24/h15-20H,7-8H2,1-6H3,(H,22,23)
InChIKey HYRKTRNWICHFJG-UHFFFAOYSA-N
Mol Weight 503.46 g/mol
Molecular Formula C21H29NO13
Exact Mass 503.16389 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID D0jz8eFsfJe
Name reduced and acetylated Neu5Ac
Alternate Name(s) 2,3-bis(acetyloxy)-1-[1-(acetyloxy)-2-[4-(acetyloxy)-5-oxooxolan-2-yl]-2-acetamidoethyl]propyl acetate
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Formula C21H29NO13
InChI InChI=1S/C21H29NO13/c1-9(23)22-18(15-7-16(21(29)35-15)31-11(3)25)20(34-14(6)28)19(33-13(5)27)17(32-12(4)26)8-30-10(2)24/h15-20H,7-8H2,1-6H3,(H,22,23)
InChIKey HYRKTRNWICHFJG-UHFFFAOYSA-N
Molecular Weight 503.457 g/mol
SMILES N(C(C(C(C(OC(=O)C)COC(=O)C)OC(=O)C)OC(=O)C)C1OC(=O)C(C1)OC(=O)C)C(=O)C
SPLASH splash10-066r-1932000000-f2cd4cab1719e137da88
Source of Spectrum O-31-267-0
Wiley ID 1399375