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D-Glucopyranosylamine, N-(4-bromophenyl)-6-O-(2,3,4,6-tetra-O-acetyl-.alpha.-D-galactopyranosyl)-, 2,3,4-triacetate
SpectraBase Compound ID KUMamaQnhMd
InChI InChI=1S/C32H40BrNO17/c1-14(35)42-12-24-26(45-16(3)37)28(47-18(5)39)30(49-20(7)41)32(51-24)43-13-23-25(44-15(2)36)27(46-17(4)38)29(48-19(6)40)31(50-23)34-22-10-8-21(33)9-11-22/h8-11,23-32,34H,12-13H2,1-7H3
InChIKey GYDCTSCUSLCRCL-UHFFFAOYSA-N
Mol Weight 790.6 g/mol
Molecular Formula C32H40BrNO17
Exact Mass 789.147962 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Br5uySJhvkz
Name D-Glucopyranosylamine, N-(4-bromophenyl)-6-O-(2,3,4,6-tetra-O-acetyl-.alpha.-D-galactopyranosyl)-, 2,3,4-triacetate
CAS Registry Number 35427-09-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C32H40BrNO17
InChI InChI=1S/C32H40BrNO17/c1-14(35)42-12-24-26(45-16(3)37)28(47-18(5)39)30(49-20(7)41)32(51-24)43-13-23-25(44-15(2)36)27(46-17(4)38)29(48-19(6)40)31(50-23)34-22-10-8-21(33)9-11-22/h8-11,23-32,34H,12-13H2,1-7H3
InChIKey GYDCTSCUSLCRCL-UHFFFAOYSA-N
Molecular Weight 790.566 g/mol
SMILES N(c1ccc(cc1)Br)C1C(C(C(C(COC2C(C(C(C(COC(C)=O)O2)OC(C)=O)OC(C)=O)OC(C)=O)O1)OC(C)=O)OC(C)=O)OC(C)=O
SPLASH splash10-053r-3922000100-c6296d0f3915e3af3694
Source of Spectrum O5-0-1157-0
Synonyms 2,3,4-Tri-O-acetyl-N-(4-bromophenyl)-6-O-(2,3,4,6-tetra-O-acetylhexopyranosyl)hexopyranosylamine [3,4,5-triacetoxy-6-[[3,4,5-triacetoxy-6-(4-bromoanilino)tetrahydropyran-2-yl]methoxy]tetrahydropyran-2-yl]methyl acetate [3,4,5-triacetyloxy-6-[[3,4,5-triacetyloxy-6-(4-bromoanilino)oxan-2-yl]methoxy]oxan-2-yl]methyl acetate [3,4,5-triacetyloxy-6-[[3,4,5-triacetyloxy-6-[(4-bromophenyl)amino]oxan-2-yl]methoxy]oxan-2-yl]methyl ethanoate Acetic acid [3,4,5-triacetyloxy-6-[[3,4,5-triacetyloxy-6-(4-bromoanilino)-2-oxanyl]methoxy]-2-oxanyl]methyl ester
Wiley ID 1417010