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.alpha.-L-Glucopyranose, 6-deoxy-,1,2,3-triacetate 4-[6-[1-(acetoxy)ethyl]-1-phenazinecarboxylate]
SpectraBase Compound ID CKNt6cPSQLc
InChI InChI=1S/C29H30N2O11/c1-13(37-15(3)32)19-9-7-11-21-23(19)30-22-12-8-10-20(24(22)31-21)28(36)42-25-14(2)38-29(41-18(6)35)27(40-17(5)34)26(25)39-16(4)33/h7-14,25-27,29H,1-6H3/t13?,14-,25-,26+,27-,29-/m0/s1
InChIKey AOJXCRODNRXSRJ-WCVVQOEWSA-N
Mol Weight 582.56 g/mol
Molecular Formula C29H30N2O11
Exact Mass 582.18496 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID yRC7L7Suis
Name .alpha.-L-Glucopyranose, 6-deoxy-,1,2,3-triacetate 4-[6-[1-(acetoxy)ethyl]-1-phenazinecarboxylate]
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 582.184959783 u
Formula C29H30N2O11
InChI InChI=1S/C29H30N2O11/c1-13(37-15(3)32)19-9-7-11-21-23(19)30-22-12-8-10-20(24(22)31-21)28(36)42-25-14(2)38-29(41-18(6)35)27(40-17(5)34)26(25)39-16(4)33/h7-14,25-27,29H,1-6H3/t13?,14-,25-,26+,27-,29-/m0/s1
InChIKey AOJXCRODNRXSRJ-WCVVQOEWSA-N
Molecular Weight 582.562 g/mol
SMILES [C@]1([C@@]([C@@](OC(C=2C3=NC4=CC=CC(=C4N=C3C=CC2)C(OC(=O)C)C)=O)([C@@](O[C@]1(OC(=O)C)[H])(C)[H])[H])(OC(=O)C)[H])(OC(=O)C)[H]