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D-Glucopyranosylamine, O-2,3,4,6-tetra-O-acetyl-.beta.-D-glucopyranosyl-(1.fwdarw.3)-O-2,4,6-tri-O-acetyl-.beta.-D-glucopyranosyl-(1.fwdarw.3)-N-(4-methylphenyl)-, 2,4,6-triacetate
SpectraBase Compound ID 3p62kxgeRcD
InChI InChI=1S/C45H59NO25/c1-19-12-14-30(15-13-19)46-43-40(64-27(9)54)37(34(60-23(5)50)31(67-43)16-57-20(2)47)70-45-42(66-29(11)56)39(36(62-25(7)52)33(69-45)18-59-22(4)49)71-44-41(65-28(10)55)38(63-26(8)53)35(61-24(6)51)32(68-44)17-58-21(3)48/h12-15,31-46H,16-18H2,1-11H3
InChIKey PRGZSQJPRWOQRZ-UHFFFAOYSA-N
Mol Weight 1013.9 g/mol
Molecular Formula C45H59NO25
Exact Mass 1013.337616 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B1yCsQXR8l6
Name D-Glucopyranosylamine, O-2,3,4,6-tetra-O-acetyl-.beta.-D-glucopyranosyl-(1.fwdarw.3)-O-2,4,6-tri-O-acetyl-.beta.-D-glucopyranosyl-(1.fwdarw.3)-N-(4-methylphenyl)-, 2,4,6-triacetate
CAS Registry Number 55331-35-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C45H59NO25
InChI InChI=1S/C45H59NO25/c1-19-12-14-30(15-13-19)46-43-40(64-27(9)54)37(34(60-23(5)50)31(67-43)16-57-20(2)47)70-45-42(66-29(11)56)39(36(62-25(7)52)33(69-45)18-59-22(4)49)71-44-41(65-28(10)55)38(63-26(8)53)35(61-24(6)51)32(68-44)17-58-21(3)48/h12-15,31-46H,16-18H2,1-11H3
InChIKey PRGZSQJPRWOQRZ-UHFFFAOYSA-N
Molecular Weight 1013.949 g/mol
SMILES N(c1ccc(C)cc1)C1C(C(C(C(COC(C)=O)O1)OC(C)=O)OC1C(C(C(C(COC(C)=O)O1)OC(C)=O)OC1C(C(C(C(COC(C)=O)O1)OC(C)=O)OC(C)=O)OC(C)=O)OC(C)=O)OC(C)=O
SPLASH splash10-0aor-2910000000-5b8da44a1a064bf3ec78
Source of Spectrum O-5-1165-9
Synonyms 2,4,6-Tri-O-acetyl-N-(4-methylphenyl)-3-O-[2,4,6-tri-O-acetyl-3-O-(2,3,4,6-tetra-O-acetylhexopyranosyl)hexopyranosyl]hexopyranosylamine [3,5-diacetoxy-4-[3,5-diacetoxy-6-(acetoxymethyl)-4-[3,4,5-triacetoxy-6-(acetoxymethyl)tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]oxy-6-(4-methylanilino)tetrahydropyran-2-yl]methyl acetate [3,5-diacetyloxy-4-[3,5-diacetyloxy-6-(acetyloxymethyl)-4-[3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxy-oxan-2-yl]oxy-6-[(4-methylphenyl)amino]oxan-2-yl]methyl ethanoate [3,5-diacetyloxy-4-[3,5-diacetyloxy-6-(acetyloxymethyl)-4-[3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-6-(4-methylanilino)oxan-2-yl]methyl acetate Acetic acid [3,5-diacetyloxy-4-[[3,5-diacetyloxy-6-(acetyloxymethyl)-4-[[3,4,5-triacetyloxy-6-(acetyloxymethyl)-2-oxanyl]oxy]-2-oxanyl]oxy]-6-(4-methylanilino)-2-oxanyl]methyl ester
Wiley ID 1418432