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1,3,5-Tris-o-(2-methoxybenzoyl)pentofuranose

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1,3,5-Tris-o-(2-methoxybenzoyl)pentofuranose
SpectraBase Compound ID 4qH4G8ls7wd
InChI InChI=1S/C29H28O11/c1-34-20-13-7-4-10-17(20)26(31)37-16-23-25(39-27(32)18-11-5-8-14-21(18)35-2)24(30)29(38-23)40-28(33)19-12-6-9-15-22(19)36-3/h4-15,23-25,29-30H,16H2,1-3H3
InChIKey IYAHTEKDGMVUNO-UHFFFAOYSA-N
Mol Weight 552.53 g/mol
Molecular Formula C29H28O11
Exact Mass 552.163162 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2KFhXMp0byu
Name 1,3,5-Tris-o-(2-methoxybenzoyl)pentofuranose
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 552.163161711 u
Formula C29H28O11
InChI InChI=1S/C29H28O11/c1-34-20-13-7-4-10-17(20)26(31)37-16-23-25(39-27(32)18-11-5-8-14-21(18)35-2)24(30)29(38-23)40-28(33)19-12-6-9-15-22(19)36-3/h4-15,23-25,29-30H,16H2,1-3H3
InChIKey IYAHTEKDGMVUNO-UHFFFAOYSA-N
Molecular Weight 552.532 g/mol
SMILES C1(C(C(COC(C2=CC=CC=C2OC)=O)OC1OC(C1=CC=CC=C1OC)=O)OC(C1=C(C=CC=C1)OC)=O)O