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permethylated N-methyl,N-phenyl(3-O-.beta.-D-glucopyranosyl-1-deoxyglucitol-1-yl)amine
SpectraBase Compound ID 9PX7XylBGGj
InChI InChI=1S/C27H47NO10/c1-24(34-6,16-28(5)19-12-10-9-11-13-19)27(4,26(3,36-8)25(2,17-30)35-7)38-37-20-14-18(15-29)21(31)23(33)22(20)32/h9-13,18,20-23,29-33H,14-17H2,1-8H3/t18-,20-,21-,22+,23+,24+,25-,26-,27-/m1/s1
InChIKey HQUQQYCTFJBIGO-OKZLGTNMSA-N
Mol Weight 545.7 g/mol
Molecular Formula C27H47NO10
Exact Mass 545.319997 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4G9A3WJ9jcA
Name permethylated N-methyl,N-phenyl(3-O-.beta.-D-glucopyranosyl-1-deoxyglucitol-1-yl)amine
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H47NO10
InChI InChI=1S/C27H47NO10/c1-24(34-6,16-28(5)19-12-10-9-11-13-19)27(4,26(3,36-8)25(2,17-30)35-7)38-37-20-14-18(15-29)21(31)23(33)22(20)32/h9-13,18,20-23,29-33H,14-17H2,1-8H3/t18-,20-,21-,22+,23+,24+,25-,26-,27-/m1/s1
InChIKey HQUQQYCTFJBIGO-OKZLGTNMSA-N
Molecular Weight 545.670 g/mol
SMILES OC[C@]([C@]([C@](OO[C@]1([C@@]([C@]([C@@]([C@@](CO)(C1)[H])(O)[H])(O)[H])(O)[H])[H])([C@](CN(c1ccccc1)C)(OC)C)C)(OC)C)(OC)C
SPLASH splash10-00di-0900000000-acb068c0409de556e66b
Source of Spectrum O-19-521-0
Synonyms 1-deoxy-2,3,4,5-tetra-C-methyl-2,4,5-tri-O-methyl-1-(methylanilino)-3-O-{[(1R,2R,3S,4R,5R)-2,3,4-trihydroxy-5-(hydroxymethyl)cyclohexyl]oxidanyl}-D-glucitol
Wiley ID 1405151