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2,3,4-Tri-O-benzoyl-.beta.D-glucopyranosylamine hydrochloride
SpectraBase Compound ID DOkFxRmVn8K
InChI InChI=1S/C27H25NO8.ClH/c28-24-23(36-27(32)19-14-8-3-9-15-19)22(35-26(31)18-12-6-2-7-13-18)21(20(16-29)33-24)34-25(30)17-10-4-1-5-11-17;/h1-15,20-24,29H,16,28H2;1H/t20-,21+,22-,23-,24-;/m1./s1
InChIKey SQEKDBFBKVJILU-CMIDAUPYSA-N
Mol Weight 527.96 g/mol
Molecular Formula C27H26ClNO8
Exact Mass 527.134694 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HIINmgXoq90
Name 2,3,4-Tri-O-benzoyl-.beta.D-glucopyranosylamine hydrochloride
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H26ClNO8
InChI InChI=1S/C27H25NO8.ClH/c28-24-23(36-27(32)19-14-8-3-9-15-19)22(35-26(31)18-12-6-2-7-13-18)21(20(16-29)33-24)34-25(30)17-10-4-1-5-11-17;/h1-15,20-24,29H,16,28H2;1H/t20-,21+,22-,23-,24-;/m1./s1
InChIKey SQEKDBFBKVJILU-CMIDAUPYSA-N
Molecular Weight 527.957 g/mol
SMILES Cl.N[C@@]1(O[C@](CO)([C@@]([C@]([C@]1(OC(=O)c1ccccc1)[H])(OC(=O)c1ccccc1)[H])(OC(=O)c1ccccc1)[H])[H])[H]
SPLASH splash10-0ab9-0900000000-37912787dec9045e444f
Source of Spectrum F-48-6419-2
Synonyms 2,3,4-tri-O-benzoyl-.beta.-D-gulopyranosylamine hydrochloride
Wiley ID 1402954