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D-manno-Non-2-enonic acid, 5-(acetylamino)-3,4,5-trideoxy-, methyl ester, 2,6,7,8,9-pentaacetate, (Z)-
SpectraBase Compound ID GPiozNwLfGj
InChI InChI=1S/C22H31NO13/c1-11(24)23-17(8-9-18(22(30)31-7)33-13(3)26)20(35-15(5)28)21(36-16(6)29)19(34-14(4)27)10-32-12(2)25/h9,17,19-21H,8,10H2,1-7H3,(H,23,24)/b18-9-
InChIKey DXYWPXPFBZAMSA-NVMNQCDNSA-N
Mol Weight 517.48 g/mol
Molecular Formula C22H31NO13
Exact Mass 517.17954 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID F8KSYjbsLvO
Name D-manno-Non-2-enonic acid, 5-(acetylamino)-3,4,5-trideoxy-, methyl ester, 2,6,7,8,9-pentaacetate, (Z)-
Alternate Name(s) Methyl (2Z)-2,6,7,8,9-penta-O-acetyl-5-(acetylamino)-3,4,5-trideoxynon-2-enonate Methyl(Z)-5-acetamido-2,6,7,8,9-penta-O-acetyl-3,4,5-trideoxy-D-manno-2-nonenonate
CAS Registry Number 110481-25-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H31NO13
InChI InChI=1S/C22H31NO13/c1-11(24)23-17(8-9-18(22(30)31-7)33-13(3)26)20(35-15(5)28)21(36-16(6)29)19(34-14(4)27)10-32-12(2)25/h9,17,19-21H,8,10H2,1-7H3,(H,23,24)/b18-9-
InChIKey DXYWPXPFBZAMSA-NVMNQCDNSA-N
Molecular Weight 517.484 g/mol
SMILES N(C(C(C(C(OC(=O)C)COC(=O)C)OC(=O)C)OC(=O)C)C\C=C\(C(=O)OC)OC(=O)C)C(=O)C
SPLASH splash10-0006-9301000000-beec8e1d937e199e4e92
Source of Spectrum H-69-1932-5
Wiley ID 1401532