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

*Links on SpectraBase are not permalinks.
[4(5H),5'-Bi-1H-1,2,4-triazol]-5-one, 1,1'-bis(2,3,4,6-tetra-O-acetyl-.beta.-D-glucopyranosyl)-
SpectraBase Compound ID 7cX801ZSNMr
InChI InChI=1S/C32H40N6O19/c1-13(39)48-9-21-23(50-15(3)41)25(52-17(5)43)27(54-19(7)45)29(56-21)37-31(33-11-34-37)36-12-35-38(32(36)47)30-28(55-20(8)46)26(53-18(6)44)24(51-16(4)42)22(57-30)10-49-14(2)40/h11-12,21-30H,9-10H2,1-8H3
InChIKey GELDULGWNGFIAM-UHFFFAOYSA-N
Mol Weight 812.7 g/mol
Molecular Formula C32H40N6O19
Exact Mass 812.234823 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 ETtPUQSM1rk
Name [4(5H),5'-Bi-1H-1,2,4-triazol]-5-one, 1,1'-bis(2,3,4,6-tetra-O-acetyl-.beta.-D-glucopyranosyl)-
Alternate Name(s) 1-(2,3,4,6-Tetra-O-acetyl-.beta.-D-glucopyranosyl)-4-[1-(2,3,4,6-tetra-O-acetyl-.beta.-D-glucopyranosyl)-1,2,4-triazol-5-yl]-1,2,4-triazolin-5-one [3,4,5-tris(acetyloxy)-6-(5-oxo-4-{1-[3,4,5-tris(acetyloxy)-6-[(acetyloxy)methyl]oxan-2-yl]-1H-1,2,4-triazol-5-yl}-4,5-dihydro-1H-1,2,4-triazol-1-yl)oxan-2-yl]methyl acetate
CAS Registry Number 88261-49-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C32H40N6O19
InChI InChI=1S/C32H40N6O19/c1-13(39)48-9-21-23(50-15(3)41)25(52-17(5)43)27(54-19(7)45)29(56-21)37-31(33-11-34-37)36-12-35-38(32(36)47)30-28(55-20(8)46)26(53-18(6)44)24(51-16(4)42)22(57-30)10-49-14(2)40/h11-12,21-30H,9-10H2,1-8H3
InChIKey GELDULGWNGFIAM-UHFFFAOYSA-N
Molecular Weight 812.695 g/mol
SMILES C1(N2C(N(c3[n](C4C(C(OC(=O)C)C(C(O4)COC(=O)C)OC(=O)C)OC(=O)C)ncn3)C=N2)=O)C(C(OC(=O)C)C(C(O1)COC(=O)C)OC(=O)C)OC(=O)C
SPLASH splash10-001i-0009000000-d3bdd7f933a7fb15ee11
Source of Spectrum Y-20-1309-0
Wiley ID 1417341