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

*Links on SpectraBase are not permalinks.

1,5-di-o-Acetyl-7-o-(2-deoxy-2-acetamido-3,4,6-tri-o-methyl-.alpha.-D-glucopyranosyl)-2,3,4,6-tetra-o-methyl-L-glycero-D-manno-heptitol

View entire compound with spectra: 1 NMR

1,5-di-o-Acetyl-7-o-(2-deoxy-2-acetamido-3,4,6-tri-o-methyl-.alpha.-D-glucopyranosyl)-2,3,4,6-tetra-o-methyl-L-glycero-D-manno-heptitol
SpectraBase Compound ID I1eQLEqWvct
InChI InChI=1S/C26H47NO14/c1-14(28)27-20-24(36-9)22(35-8)19(11-31-4)41-26(20)39-13-18(33-6)23(40-16(3)30)25(37-10)21(34-7)17(32-5)12-38-15(2)29/h17-26H,11-13H2,1-10H3,(H,27,28)/t17?,18?,19-,20-,21?,22-,23?,24-,25?,26+/m1/s1
InChIKey FRQPTHHQQUJJAO-CIJCTZISSA-N
Mol Weight 597.7 g/mol
Molecular Formula C26H47NO14
Exact Mass 597.299655 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

View the Full Spectrum for FREE!

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

SpectraBase Spectrum ID 1dj0XLQ3UUg
Name 1,5-di-o-Acetyl-7-o-(2-deoxy-2-acetamido-3,4,6-tri-o-methyl-.alpha.-D-glucopyranosyl)-2,3,4,6-tetra-o-methyl-L-glycero-D-manno-heptitol
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 597.299655183 u
Formula C26H47NO14
InChI InChI=1S/C26H47NO14/c1-14(28)27-20-24(36-9)22(35-8)19(11-31-4)41-26(20)39-13-18(33-6)23(40-16(3)30)25(37-10)21(34-7)17(32-5)12-38-15(2)29/h17-26H,11-13H2,1-10H3,(H,27,28)/t17?,18?,19-,20-,21?,22-,23?,24-,25?,26+/m1/s1
InChIKey FRQPTHHQQUJJAO-CIJCTZISSA-N
Molecular Weight 597.655 g/mol
SMILES C(C(CO[C@@]1([C@@]([C@]([C@@]([C@](O1)(COC)[H])(OC)[H])(OC)[H])(NC(C)=O)[H])[H])OC)(OC(=O)C)C(C(OC)C(OC)COC(C)=O)OC