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D-glycero-D-talo-Nononic acid, 5-(acetylamino)-2,3,5-trideoxy-2-methylene-7,9-O-(1-methylethylidene)-, 1,1-dimethylethyl ester, 4,6,8-triacetate
SpectraBase Compound ID COD7COPXWtB
InChI InChI=1S/C25H39NO11/c1-13(23(31)37-24(6,7)8)11-18(33-15(3)28)20(26-14(2)27)22(35-17(5)30)21-19(34-16(4)29)12-32-25(9,10)36-21/h18-22H,1,11-12H2,2-10H3,(H,26,27)
InChIKey RDKNRKKRWAVTQZ-UHFFFAOYSA-N
Mol Weight 529.6 g/mol
Molecular Formula C25H39NO11
Exact Mass 529.252311 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JYFWYOTjSaG
Name D-glycero-D-talo-Nononic acid, 5-(acetylamino)-2,3,5-trideoxy-2-methylene-7,9-O-(1-methylethylidene)-, 1,1-dimethylethyl ester, 4,6,8-triacetate
CAS Registry Number 109081-09-6
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H39NO11
InChI InChI=1S/C25H39NO11/c1-13(23(31)37-24(6,7)8)11-18(33-15(3)28)20(26-14(2)27)22(35-17(5)30)21-19(34-16(4)29)12-32-25(9,10)36-21/h18-22H,1,11-12H2,2-10H3,(H,26,27)
InChIKey RDKNRKKRWAVTQZ-UHFFFAOYSA-N
Molecular Weight 529.583 g/mol
SMILES N(C(C(C1OC(C)(C)OCC1OC(=O)C)OC(=O)C)C(CC(C(OC(C)(C)C)=O)=C)OC(=O)C)C(=O)C
SPLASH splash10-00di-0000940000-be5bfc2dfb14a5317d5f
Source of Spectrum H-69-1211-17
Synonyms D-glycero-D-galacto-Nononic acid, 5-(acetylamino)-2,3,5-trideoxy-2-methylene-7,9-O-(1-methylethylidene)-, 1,1-dimethylethyl ester, 4,6,8-triacetate t-butyl 5-acetamido-4,6,8-tri-O-acetyl-2,3,5-trideoxy-7,9-O-isopropylidene-2-methylidene-D-glycero-D-galacto-nononate t-butyl 5-acetamido-4,6,8-tri-O-acetyl-2,3,5-trideoxy-7,9-O-isopropylidene-2-methylidene-D-glycero-D-talo-nononate tert-butyl 4,6,8-tri-O-acetyl-5-(acetylamino)-2,3,5-trideoxy-2-methylene-7,9-O-(1-methylethylidene)nononate
Wiley ID 1403197