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D-Glucopyranosylamine, N-(4-bromophenyl)-4-O-(2,3,4,6-tetra-O-acetyl-.beta.-D-galactopyranosyl)-, 2,3,6-triacetate
SpectraBase Compound ID LT9635ZHdvs
InChI InChI=1S/C32H40BrNO17/c1-14(35)42-12-23-26(27(45-17(4)38)29(47-19(6)40)31(49-23)34-22-10-8-21(33)9-11-22)51-32-30(48-20(7)41)28(46-18(5)39)25(44-16(3)37)24(50-32)13-43-15(2)36/h8-11,23-32,34H,12-13H2,1-7H3
InChIKey CDTQQFFKJYMSKM-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 Ems1wDuy7T5
Name D-Glucopyranosylamine, N-(4-bromophenyl)-4-O-(2,3,4,6-tetra-O-acetyl-.beta.-D-galactopyranosyl)-, 2,3,6-triacetate
CAS Registry Number 35427-11-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C32H40BrNO17
InChI InChI=1S/C32H40BrNO17/c1-14(35)42-12-23-26(27(45-17(4)38)29(47-19(6)40)31(49-23)34-22-10-8-21(33)9-11-22)51-32-30(48-20(7)41)28(46-18(5)39)25(44-16(3)37)24(50-32)13-43-15(2)36/h8-11,23-32,34H,12-13H2,1-7H3
InChIKey CDTQQFFKJYMSKM-UHFFFAOYSA-N
Molecular Weight 790.566 g/mol
SMILES N(c1ccc(cc1)Br)C1C(C(C(C(COC(C)=O)O1)OC1C(C(C(C(COC(C)=O)O1)OC(C)=O)OC(C)=O)OC(C)=O)OC(C)=O)OC(C)=O
SPLASH splash10-067i-2933000100-2fa1ca3d9b86e1f91562
Source of Spectrum O-5-1158-6
Synonyms 2,3,6-Tri-O-acetyl-N-(4-bromophenyl)-4-O-(2,3,4,6-tetra-O-acetylhexopyranosyl)hexopyranosylamine [4,5-diacetoxy-6-(4-bromoanilino)-3-[3,4,5-triacetoxy-6-(acetoxymethyl)tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]methyl acetate [4,5-diacetyloxy-6-(4-bromoanilino)-3-[3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyoxan-2-yl]methyl acetate [4,5-diacetyloxy-6-[(4-bromophenyl)amino]-3-[3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxy-oxan-2-yl]methyl ethanoate Acetic acid [4,5-diacetyloxy-6-(4-bromoanilino)-3-[[3,4,5-triacetyloxy-6-(acetyloxymethyl)-2-oxanyl]oxy]-2-oxanyl]methyl ester
Wiley ID 1417008