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reduced and acetylated Neu5Gc
SpectraBase Compound ID 7ge823RVrWJ
InChI InChI=1S/C23H31NO15/c1-10(25)33-8-18(36-13(4)28)21(37-14(5)29)22(38-15(6)30)20(24-19(31)9-34-11(2)26)16-7-17(23(32)39-16)35-12(3)27/h16-18,20-22H,7-9H2,1-6H3,(H,24,31)/t16?,17-,18?,20?,21?,22?/m1/s1
InChIKey GGWRTGPZCLOMTO-WQDCEBPSSA-N
Mol Weight 561.49 g/mol
Molecular Formula C23H31NO15
Exact Mass 561.169369 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3Ycm0oaPDJc
Name reduced and acetylated Neu5Gc
Alternate Name(s) 2,3-bis(acetyloxy)-1-[1-(acetyloxy)-2-[(4R)-4-(acetyloxy)-5-oxooxolan-2-yl]-2-[2-(acetyloxy)acetamido]ethyl]propyl acetate
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Formula C23H31NO15
InChI InChI=1S/C23H31NO15/c1-10(25)33-8-18(36-13(4)28)21(37-14(5)29)22(38-15(6)30)20(24-19(31)9-34-11(2)26)16-7-17(23(32)39-16)35-12(3)27/h16-18,20-22H,7-9H2,1-6H3,(H,24,31)/t16?,17-,18?,20?,21?,22?/m1/s1
InChIKey GGWRTGPZCLOMTO-WQDCEBPSSA-N
Molecular Weight 561.493 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)[H])C(=O)COC(=O)C
SPLASH splash10-0fk9-1941000000-b1608a17eff4ccbfdd36
Source of Spectrum O-31-267-0
Wiley ID 1406821