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1-o-(3,4,5-Trimethoxybenzoyl)-B-D-glucopyranoside, 4ac derivative

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1-o-(3,4,5-Trimethoxybenzoyl)-B-D-glucopyranoside, 4ac derivative
SpectraBase Compound ID 4PoIIP5epPP
InChI InChI=1S/C24H30O14/c1-11(25)33-10-18-20(34-12(2)26)21(35-13(3)27)22(36-14(4)28)24(37-18)38-23(29)15-8-16(30-5)19(32-7)17(9-15)31-6/h8-9,18,20-22,24H,10H2,1-7H3/t18-,20-,21+,22-,24+/m1/s1
InChIKey RGGFBBJZLMLQNQ-YVTYUBGGSA-N
Mol Weight 542.49 g/mol
Molecular Formula C24H30O14
Exact Mass 542.163556 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EYrHQCazilP
Name 1-o-(3,4,5-Trimethoxybenzoyl)-B-D-glucopyranoside, 4ac derivative
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 542.163555632 u
Formula C24H30O14
InChI InChI=1S/C24H30O14/c1-11(25)33-10-18-20(34-12(2)26)21(35-13(3)27)22(36-14(4)28)24(37-18)38-23(29)15-8-16(30-5)19(32-7)17(9-15)31-6/h8-9,18,20-22,24H,10H2,1-7H3/t18-,20-,21+,22-,24+/m1/s1
InChIKey RGGFBBJZLMLQNQ-YVTYUBGGSA-N
Molecular Weight 542.490 g/mol
SMILES [C@@]1(OC(C2=CC(=C(C(=C2)OC)OC)OC)=O)([C@](OC(=O)C)([C@@](OC(=O)C)([C@](OC(=O)C)([C@](O1)(COC(=O)C)[H])[H])[H])[H])[H]