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TETRA-O-ACETYL-BETA-D-GLUCOPYRANOSYL-4-HYDROXYBENZALDEHYDE
SpectraBase Compound ID AjaxMPxX0xs
InChI InChI=1S/C21H24O11/c1-11(23)27-10-17-18(28-12(2)24)19(29-13(3)25)20(30-14(4)26)21(32-17)31-16-7-5-15(9-22)6-8-16/h5-9,17-21H,10H2,1-4H3/t17-,18-,19+,20-,21-/m1/s1
InChIKey CDLMQSSFJCERSO-YMQHIKHWSA-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 7HILNwSC1jW
Name [(2R,3R,4S,5R,6S)-3,4,5-triacetoxy-6-(4-formylphenoxy)tetrahydropyran-2-yl]methyl acetate
CAS Registry Number 31873-42-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H24O11
InChI InChI=1S/C21H24O11/c1-11(23)27-10-17-18(28-12(2)24)19(29-13(3)25)20(30-14(4)26)21(32-17)31-16-7-5-15(9-22)6-8-16/h5-9,17-21H,10H2,1-4H3/t17-,18-,19+,20-,21-/m1/s1
InChIKey CDLMQSSFJCERSO-YMQHIKHWSA-N
Molecular Weight 452.412 g/mol
SMILES [C@@]1([C@]([C@](OC(=O)C)([C@](O[C@]1(Oc1ccc(C=O)cc1)[H])(COC(=O)C)[H])[H])(OC(=O)C)[H])(OC(=O)C)[H]
SPLASH splash10-069c-3900000000-cb0d7286bbc0f4170d74
Source of Spectrum KC-1979-243-0
Synonyms [(2R,3R,4S,5R,6S)-3,4,5-triacetyloxy-6-(4-formylphenoxy)oxan-2-yl]methyl acetate [(2R,3R,4S,5R,6S)-3,4,5-triacetyloxy-6-(4-methanoylphenoxy)oxan-2-yl]methyl ethanoate Acetic acid [(2R,3R,4S,5R,6S)-3,4,5-triacetyloxy-6-(4-formylphenoxy)-2-oxanyl]methyl ester
Wiley ID 1388179