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.beta.-D-Allofuranuronic acid, 5-deoxy-5-[[(1,1-dimethylethoxy)carbonyl]amino]-, methyl ester, 1,2,3-triacetate
SpectraBase Compound ID 6Li3UD6bxCo
InChI InChI=1S/C18H27NO11/c1-8(20)26-13-12(11(15(23)24)19-16(25)30-17(4,5)6)29-18(7,28-10(3)22)14(13)27-9(2)21/h11-14H,1-7H3,(H,19,25)(H,23,24)/t11-,12+,13+,14+,18+/m0/s1
InChIKey FIPSKMNPSXYYMU-AYLHNXDXSA-N
Mol Weight 433.41 g/mol
Molecular Formula C18H27NO11
Exact Mass 433.158411 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2X8YiDrLQ8p
Name .beta.-D-Allofuranuronic acid, 5-deoxy-5-[[(1,1-dimethylethoxy)carbonyl]amino]-, methyl ester, 1,2,3-triacetate
CAS Registry Number 127257-30-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H27NO11
InChI InChI=1S/C18H27NO11/c1-8(20)26-13-12(11(15(23)24)19-16(25)30-17(4,5)6)29-18(7,28-10(3)22)14(13)27-9(2)21/h11-14H,1-7H3,(H,19,25)(H,23,24)/t11-,12+,13+,14+,18+/m0/s1
InChIKey FIPSKMNPSXYYMU-AYLHNXDXSA-N
Molecular Weight 433.410 g/mol
SMILES N(C(OC(C)(C)C)=O)[C@](C(=O)O)([C@]1(O[C@]([C@@]([C@@]1(OC(=O)C)[H])(OC(=O)C)[H])(OC(=O)C)C)[H])[H]
SPLASH splash10-0005-0950000000-2a4bb0c8819d717c764a
Source of Spectrum J-55-3786-66
Synonyms (6S)-4,5,6-tri-O-acetyl-2-[(tert-butoxycarbonyl)amino]-2,7-dideoxy-L-allo-hept-6-ulofuranosonic acid Methyl 5-deoxy-5-[[(1,1-dimethylethoxy)carbonyl]-amino]-.beta.-D-allofuranuronate,1,2,3-triacetate
Wiley ID 1382611