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3,5,6-o-Tribenzoyl-1,2-o-isopropylidene D-glucofuranose

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3,5,6-o-Tribenzoyl-1,2-o-isopropylidene D-glucofuranose
SpectraBase Compound ID DXLOEDnROgd
InChI InChI=1S/C30H28O9/c1-30(2)38-25-24(36-28(33)21-16-10-5-11-17-21)23(37-29(25)39-30)22(35-27(32)20-14-8-4-9-15-20)18-34-26(31)19-12-6-3-7-13-19/h3-17,22-25,29H,18H2,1-2H3
InChIKey KAALWXODPZBQSC-UHFFFAOYSA-N
Mol Weight 532.55 g/mol
Molecular Formula C30H28O9
Exact Mass 532.173332 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 49wbvKfNjzj
Name 3,5,6-o-Tribenzoyl-1,2-o-isopropylidene D-glucofuranose
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 532.173332473 u
Formula C30H28O9
InChI InChI=1S/C30H28O9/c1-30(2)38-25-24(36-28(33)21-16-10-5-11-17-21)23(37-29(25)39-30)22(35-27(32)20-14-8-4-9-15-20)18-34-26(31)19-12-6-3-7-13-19/h3-17,22-25,29H,18H2,1-2H3
InChIKey KAALWXODPZBQSC-UHFFFAOYSA-N
Molecular Weight 532.545 g/mol
SMILES C1(OC2C(C(OC2O1)C(OC(=O)C1=CC=CC=C1)COC(=O)C1=CC=CC=C1)OC(=O)C1=CC=CC=C1)(C)C