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1-Deoxy-L-threo-pentulose, 3,4,5-tribenzoate

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1-Deoxy-L-threo-pentulose, 3,4,5-tribenzoate
SpectraBase Compound ID 3THaSrXEZKj
InChI InChI=1S/C26H22O7/c1-18(27)23(33-26(30)21-15-9-4-10-16-21)22(32-25(29)20-13-7-3-8-14-20)17-31-24(28)19-11-5-2-6-12-19/h2-16,22-23H,17H2,1H3/t22-,23-/m0/s1
InChIKey YQJYTYJLLACNSQ-GOTSBHOMSA-N
Mol Weight 446.46 g/mol
Molecular Formula C26H22O7
Exact Mass 446.136553 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4bjLqYWAhcq
Name 1-Deoxy-L-threo-pentulose, 3,4,5-tribenzoate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 446.136553041 u
Formula C26H22O7
InChI InChI=1S/C26H22O7/c1-18(27)23(33-26(30)21-15-9-4-10-16-21)22(32-25(29)20-13-7-3-8-14-20)17-31-24(28)19-11-5-2-6-12-19/h2-16,22-23H,17H2,1H3/t22-,23-/m0/s1
InChIKey YQJYTYJLLACNSQ-GOTSBHOMSA-N
Molecular Weight 446.455 g/mol
SMILES CC(=O)[C@]([C@](OC(C=1C=CC=CC1)=O)([H])COC(=O)C=1C=CC=CC1)([H])OC(=O)C=1C=CC=CC1