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1,2,3,4,6-Penta-O-butyryl-d-glucopyranose

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1,2,3,4,6-Penta-O-butyryl-d-glucopyranose
SpectraBase Compound ID A7IBfCEApgB
InChI InChI=1S/C26H42O11/c1-6-11-18(27)32-16-17-23(34-19(28)12-7-2)24(35-20(29)13-8-3)25(36-21(30)14-9-4)26(33-17)37-22(31)15-10-5/h17,23-26H,6-16H2,1-5H3/t17-,23-,24-,25-,26-/m1/s1
InChIKey URBLVNWOCAGFPV-NERPLSFCSA-N
Mol Weight 530.6 g/mol
Molecular Formula C26H42O11
Exact Mass 530.272712 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CA1VxlZaO19
Name 1,2,3,4,6-Penta-o-butyryl-D-glucopyranose
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 530.272712161 u
Formula C26H42O11
InChI InChI=1S/C26H42O11/c1-6-11-18(27)32-16-17-23(34-19(28)12-7-2)24(35-20(29)13-8-3)25(36-21(30)14-9-4)26(33-17)37-22(31)15-10-5/h17,23-26H,6-16H2,1-5H3/t17-,23-,24-,25-,26-/m1/s1
InChIKey URBLVNWOCAGFPV-NERPLSFCSA-N
Molecular Weight 530.611 g/mol
SMILES [C@@]1([C@](O[C@@]([C@@]([C@@]1(OC(CCC)=O)[H])(OC(CCC)=O)[H])(OC(CCC)=O)[H])(COC(CCC)=O)[H])(OC(=O)CCC)[H]