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.alpha.-d-Xylofuranose, 3-C-[(acetyloxy)methyl]-, 1,2,3-triacetate 5-benzoate
SpectraBase Compound ID BW0UdlIwjuj
InChI InChI=1S/C21H24O11/c1-12(22)28-11-21(32-15(4)25)17(10-27-19(26)16-8-6-5-7-9-16)31-20(30-14(3)24)18(21)29-13(2)23/h5-9,17-18,20H,10-11H2,1-4H3
InChIKey NCPJXXPVUOSRJA-UHFFFAOYSA-N
Mol Weight 452.41 g/mol
Molecular Formula C21H24O11
Exact Mass 452.131862 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BHBuwpU44lc
Name .alpha.-d-Xylofuranose, 3-C-[(acetyloxy)methyl]-, 1,2,3-triacetate 5-benzoate
Alternate Name(s) [3,4,5-triacetoxy-3-(acetoxymethyl)tetrahydrofuran-2-yl]methyl benzoate [3,4,5-triacetyloxy-3-(acetyloxymethyl)oxolan-2-yl]methyl benzoate benzoic acid [3,4,5-triacetyloxy-3-(acetyloxymethyl)-2-oxolanyl]methyl ester
CAS Registry Number 70723-04-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H24O11
InChI InChI=1S/C21H24O11/c1-12(22)28-11-21(32-15(4)25)17(10-27-19(26)16-8-6-5-7-9-16)31-20(30-14(3)24)18(21)29-13(2)23/h5-9,17-18,20H,10-11H2,1-4H3
InChIKey NCPJXXPVUOSRJA-UHFFFAOYSA-N
Molecular Weight 452.412 g/mol
SMILES CC(=O)OCC1(C(COC(c2ccccc2)=O)OC(C1OC(C)=O)OC(C)=O)OC(C)=O
SPLASH splash10-0a4i-0932000000-893c434dc205802032fd
Source of Spectrum H-62-693-0
Wiley ID 1388178