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.beta.-D-Glucopyranoside, 4-hydroxyphenyl, 6-(2-methylbutanoate), 4ac derivative

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.beta.-D-Glucopyranoside, 4-hydroxyphenyl, 6-(2-methylbutanoate), 4ac derivative
SpectraBase Compound ID 5hZxdttFGUK
InChI InChI=1S/C25H32O12/c1-7-13(2)24(30)31-12-20-21(33-15(4)27)22(34-16(5)28)23(35-17(6)29)25(37-20)36-19-10-8-18(9-11-19)32-14(3)26/h8-11,13,20-23,25H,7,12H2,1-6H3/t13?,20-,21-,22+,23-,25-/m1/s1
InChIKey FPLZUCBSXVBXFM-VLSIUSMDSA-N
Mol Weight 524.5 g/mol
Molecular Formula C25H32O12
Exact Mass 524.189376 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8Q2Bb6PMooi
Name .beta.-D-Glucopyranoside, 4-hydroxyphenyl, 6-(2-methylbutanoate), 4ac derivative
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 524.189376458 u
Formula C25H32O12
InChI InChI=1S/C25H32O12/c1-7-13(2)24(30)31-12-20-21(33-15(4)27)22(34-16(5)28)23(35-17(6)29)25(37-20)36-19-10-8-18(9-11-19)32-14(3)26/h8-11,13,20-23,25H,7,12H2,1-6H3/t13?,20-,21-,22+,23-,25-/m1/s1
InChIKey FPLZUCBSXVBXFM-VLSIUSMDSA-N
Molecular Weight 524.519 g/mol
SMILES [C@@]1(OC2=CC=C(C=C2)OC(=O)C)([C@](OC(=O)C)([C@@](OC(=O)C)([C@](OC(=O)C)([C@](O1)(COC(C(CC)C)=O)[H])[H])[H])[H])[H]