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D-Glucitol, 1-[(4-benzoylphenyl)amino]-1-deoxy-4-O-.beta.-D-glucopyranosyl-
SpectraBase Compound ID 8Fj2tPfwA4O
InChI InChI=1S/C25H33NO11/c27-11-17(30)24(37-25-23(35)22(34)21(33)18(12-28)36-25)20(32)16(29)10-26-15-8-6-14(7-9-15)19(31)13-4-2-1-3-5-13/h1-9,16-18,20-30,32-35H,10-12H2/t16-,17+,18?,20+,21+,22-,23+,24+,25?/m0/s1
InChIKey ABPIWNZDTKCFEF-XMUGVSBVSA-N
Mol Weight 523.5 g/mol
Molecular Formula C25H33NO11
Exact Mass 523.205361 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1yAkuRr82Fk
Name D-Glucitol, 1-[(4-benzoylphenyl)amino]-1-deoxy-4-O-.beta.-D-glucopyranosyl-
CAS Registry Number 79981-19-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H33NO11
InChI InChI=1S/C25H33NO11/c27-11-17(30)24(37-25-23(35)22(34)21(33)18(12-28)36-25)20(32)16(29)10-26-15-8-6-14(7-9-15)19(31)13-4-2-1-3-5-13/h1-9,16-18,20-30,32-35H,10-12H2/t16-,17+,18?,20+,21+,22-,23+,24+,25?/m0/s1
InChIKey ABPIWNZDTKCFEF-XMUGVSBVSA-N
Molecular Weight 523.535 g/mol
SMILES O[C@@]1([C@](C(O[C@@]([C@@]([C@](CNc2ccc(C(=O)c3ccccc3)cc2)(O)[H])(O)[H])([C@](O)(CO)[H])[H])OC([C@]1(O)[H])CO)(O)[H])[H]
SPLASH splash10-00dj-0900000000-2b372e3cf1f5d80a58e4
Source of Spectrum I-59-2939-0
Synonyms 1-(4-benzoylanilino)-1-deoxy-4-O-D-xylo-hexopyranosyl-D-glucitol 4-[(1-deoxycellobit-1-yl)-amino]benzophenone
Wiley ID 1402375