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1,6-Anhydro-2,3,4-O-butyryl-b-d-glucopyranose

View entire compound with spectra: 2 NMR

1,6-Anhydro-2,3,4-O-butyryl-b-d-glucopyranose
SpectraBase Compound ID Bz4JI9tkHCm
InChI InChI=1S/C18H28O8/c1-4-7-12(19)24-15-11-10-22-18(23-11)17(26-14(21)9-6-3)16(15)25-13(20)8-5-2/h11,15-18H,4-10H2,1-3H3/t11-,15-,16-,17-,18-/m1/s1
InChIKey KUSAQCHQDNAUHG-QXWDTAIYSA-N
Mol Weight 372.41 g/mol
Molecular Formula C18H28O8
Exact Mass 372.178418 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BMj4mYytOT0
Name 1,6-Anhydro-2,3,4-o-butyryl-B-D-glucopyranose
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 372.178417854 u
Formula C18H28O8
InChI InChI=1S/C18H28O8/c1-4-7-12(19)24-15-11-10-22-18(23-11)17(26-14(21)9-6-3)16(15)25-13(20)8-5-2/h11,15-18H,4-10H2,1-3H3/t11-,15-,16-,17-,18-/m1/s1
InChIKey KUSAQCHQDNAUHG-QXWDTAIYSA-N
Molecular Weight 372.414 g/mol
SMILES [C@@]1([C@@]2(O[C@]([C@@]([C@@]1(OC(=O)CCC)[H])(OC(CCC)=O)[H])(OC2)[H])[H])(OC(CCC)=O)[H]