For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.

.beta.-D-Glucopyranoside, 2,3-bis(acetyloxy)-1-[(acetyloxy)(2-phenyl-2H-1,2,3-triazol-4-yl)methyl]propyl O-2,3,4,6-tetra-O-acetyl-.beta.-D-glucopyranosyl-(1.fwdarw.4)-O-2,3,6-tri-O-acetyl-.beta.-D-glucopyranosyl-(1.fwdarw.4)-, 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 O-2,3,4,6-tetra-O-acetyl-.beta.-D-glucopyranosyl-(1.fwdarw.4)-O-2,3,6-tri-O-acetyl-.beta.-D-glucopyranosyl-(1.fwdarw.4)-, triacetate (ester)
SpectraBase Compound ID CEKA3U47Nss
InChI InChI=1S/C56H71N3O32/c1-24(60)73-20-39(77-28(5)64)44(43(78-29(6)65)38-19-57-59(58-38)37-17-15-14-16-18-37)89-54-52(84-35(12)71)49(81-32(9)68)46(41(87-54)22-75-26(3)62)91-56-53(85-36(13)72)50(82-33(10)69)47(42(88-56)23-76-27(4)63)90-55-51(83-34(11)70)48(80-31(8)67)45(79-30(7)66)40(86-55)21-74-25(2)61/h14-19,39-56H,20-23H2,1-13H3
InChIKey ZZBFFOWJIUHJDO-UHFFFAOYSA-N
Mol Weight 1298.2 g/mol
Molecular Formula C56H71N3O32
Exact Mass 1297.402067 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 7golWyW5qj3
Name .beta.-D-Glucopyranoside, 2,3-bis(acetyloxy)-1-[(acetyloxy)(2-phenyl-2H-1,2,3-triazol-4-yl)methyl]propyl O-2,3,4,6-tetra-O-acetyl-.beta.-D-glucopyranosyl-(1.fwdarw.4)-O-2,3,6-tri-O-acetyl-.beta.-D-glucopyranosyl-(1.fwdarw.4)-, triacetate (ester)
CAS Registry Number 35405-86-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C56H71N3O32
InChI InChI=1S/C56H71N3O32/c1-24(60)73-20-39(77-28(5)64)44(43(78-29(6)65)38-19-57-59(58-38)37-17-15-14-16-18-37)89-54-52(84-35(12)71)49(81-32(9)68)46(41(87-54)22-75-26(3)62)91-56-53(85-36(13)72)50(82-33(10)69)47(42(88-56)23-76-27(4)63)90-55-51(83-34(11)70)48(80-31(8)67)45(79-30(7)66)40(86-55)21-74-25(2)61/h14-19,39-56H,20-23H2,1-13H3
InChIKey ZZBFFOWJIUHJDO-UHFFFAOYSA-N
Molecular Weight 1298.173 g/mol
SMILES CC(=O)OCC1C(C(C(C(O1)OC1C(COC(C)=O)OC(C(C1OC(C)=O)OC(C)=O)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-0931000000-6582617f1cb19084446b
Source of Spectrum O-5-1154-11
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-[2,3,6-tri-O-acetyl-4-O-(2,3,4,6-tetra-O-acetylhexopyranosyl)hexopyranosyl]hexopyranosyl)oxy)propyl ac [4,5-diacetoxy-6-[4,5-diacetoxy-2-(acetoxymethyl)-6-[2,3-diacetoxy-1-[acetoxy-(2-phenyltriazol-4-yl)methyl]propoxy]tetrahydropyran-3-yl]oxy-3-[3,4,5-triacetoxy-6-(acetoxymethyl)tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]methyl acetate [4,5-diacetyloxy-6-[4,5-diacetyloxy-2-(acetyloxymethyl)-6-[1,3,4-triacetyloxy-1-(2-phenyl-1,2,3-triazol-4-yl)butan-2-yl]oxy-oxan-3-yl]oxy-3-[3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxy-oxan-2-yl]methyl ethanoate [4,5-diacetyloxy-6-[4,5-diacetyloxy-2-(acetyloxymethyl)-6-[1,3,4-triacetyloxy-1-(2-phenyltriazol-4-yl)butan-2-yl]oxyoxan-3-yl]oxy-3-[3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyoxan-2-yl]methyl acetate Acetic acid [4,5-diacetyloxy-6-[[4,5-diacetyloxy-2-(acetyloxymethyl)-6-[1,3,4-triacetyloxy-1-(2-phenyl-4-triazolyl)butan-2-yl]oxy-3-oxanyl]oxy]-3-[[3,4,5-triacetyloxy-6-(acetyloxymethyl)-2-oxanyl]oxy]-2-oxanyl]methyl ester
Wiley ID 1418784