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.beta.-D-Glucopyranoside, 2,3-bis(acetyloxy)-1-[(acetyloxy)(2-phenyl-2H-1,2,3-triazol-4-yl)methyl]propyl 4-O-(2,3,4,6-tetra-O-acetyl-.beta.-D-glucopyranosyl)-, triacetate (ester)

View entire compound with spectra: 1 MS (GC)

.beta.-D-Glucopyranoside, 2,3-bis(acetyloxy)-1-[(acetyloxy)(2-phenyl-2H-1,2,3-triazol-4-yl)methyl]propyl 4-O-(2,3,4,6-tetra-O-acetyl-.beta.-D-glucopyranosyl)-, triacetate (ester)
SpectraBase Compound ID Ag2aAYCkEmK
InChI InChI=1S/C44H55N3O24/c1-20(48)58-17-32(61-23(4)51)36(35(62-24(5)52)31-16-45-47(46-31)30-14-12-11-13-15-30)70-43-42(67-29(10)57)40(65-27(8)55)38(34(69-43)19-60-22(3)50)71-44-41(66-28(9)56)39(64-26(7)54)37(63-25(6)53)33(68-44)18-59-21(2)49/h11-16,32-44H,17-19H2,1-10H3
InChIKey WRHUWYAFJBPKAT-UHFFFAOYSA-N
Mol Weight 1009.9 g/mol
Molecular Formula C44H55N3O24
Exact Mass 1009.31755 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6rPMhQpfETP
Name .beta.-D-Glucopyranoside, 2,3-bis(acetyloxy)-1-[(acetyloxy)(2-phenyl-2H-1,2,3-triazol-4-yl)methyl]propyl 4-O-(2,3,4,6-tetra-O-acetyl-.beta.-D-glucopyranosyl)-, triacetate (ester)
CAS Registry Number 35405-85-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C44H55N3O24
InChI InChI=1S/C44H55N3O24/c1-20(48)58-17-32(61-23(4)51)36(35(62-24(5)52)31-16-45-47(46-31)30-14-12-11-13-15-30)70-43-42(67-29(10)57)40(65-27(8)55)38(34(69-43)19-60-22(3)50)71-44-41(66-28(9)56)39(64-26(7)54)37(63-25(6)53)33(68-44)18-59-21(2)49/h11-16,32-44H,17-19H2,1-10H3
InChIKey WRHUWYAFJBPKAT-UHFFFAOYSA-N
Molecular Weight 1009.921 g/mol
SMILES CC(=O)OCC1C(C(C(C(O1)OC(C(COC(C)=O)OC(C)=O)C(c1cn[n](-c2ccccc2)n1)OC(C)=O)OC(C)=O)OC(C)=O)OC1C(C(C(C(COC(C)=O)O1)OC(C)=O)OC(C)=O)OC(C)=O
SPLASH splash10-066r-0940000000-4775f059abbd3fbfd25c
Source of Spectrum O-5-1154-10
Synonyms 3-(Acetyloxy)-1-[(acetyloxy)methyl]-3-(2-phenyl-2H-1,2,3-triazol-4-yl)-2-([2,3,6-tri-O-acetyl-4-O-(2,3,4,6-tetra-O-acetylhexopyranosyl)hexopyranosyl]oxy)propyl acetate [4,5-diacetoxy-6-[2,3-diacetoxy-1-[acetoxy-(2-phenyltriazol-4-yl)methyl]propoxy]-3-[3,4,5-triacetoxy-6-(acetoxymethyl)tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]methyl acetate [4,5-diacetyloxy-3-[3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxy-6-[1,3,4-triacetyloxy-1-(2-phenyl-1,2,3-triazol-4-yl)butan-2-yl]oxy-oxan-2-yl]methyl ethanoate [4,5-diacetyloxy-3-[3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxy-6-[1,3,4-triacetyloxy-1-(2-phenyltriazol-4-yl)butan-2-yl]oxyoxan-2-yl]methyl acetate Acetic acid [4,5-diacetyloxy-3-[[3,4,5-triacetyloxy-6-(acetyloxymethyl)-2-oxanyl]oxy]-6-[1,3,4-triacetyloxy-1-(2-phenyl-4-triazolyl)butan-2-yl]oxy-2-oxanyl]methyl ester
Wiley ID 1418416