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N-Phenacyl-N'-(2,3,4-tri-O-acetyl-.beta.D-glucopyranosyl)thiourea
SpectraBase Compound ID 6Z8cHAOWNeg
InChI InChI=1S/C21H26N2O9S/c1-11(25)29-17-16(10-24)32-20(19(31-13(3)27)18(17)30-12(2)26)23-21(33)22-9-15(28)14-7-5-4-6-8-14/h4-8,16-20,24H,9-10H2,1-3H3,(H2,22,23,33)/t16-,17-,18+,19-,20-/m1/s1
InChIKey VKVVXIAHNMCCRW-OUUBHVDSSA-N
Mol Weight 482.5 g/mol
Molecular Formula C21H26N2O9S
Exact Mass 482.135902 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8pQNAXydwWc
Name N-Phenacyl-N'-(2,3,4-tri-O-acetyl-.beta.D-glucopyranosyl)thiourea
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H26N2O9S
InChI InChI=1S/C21H26N2O9S/c1-11(25)29-17-16(10-24)32-20(19(31-13(3)27)18(17)30-12(2)26)23-21(33)22-9-15(28)14-7-5-4-6-8-14/h4-8,16-20,24H,9-10H2,1-3H3,(H2,22,23,33)/t16-,17-,18+,19-,20-/m1/s1
InChIKey VKVVXIAHNMCCRW-OUUBHVDSSA-N
Molecular Weight 482.504 g/mol
SMILES N([C@@]1(O[C@](CO)([C@]([C@@]([C@]1(OC(=O)C)[H])(OC(=O)C)[H])(OC(=O)C)[H])[H])[H])C(NCC(=O)c1ccccc1)=S
SPLASH splash10-0bvm-9500000000-dd612ef460fd80db130d
Source of Spectrum F-48-6420-6
Synonyms 2,3,4-tri-O-acetyl-N-{[(2-oxo-2-phenylethyl)amino]carbothioyl}-.beta.-D-xylo-hexopyranosylamine
Wiley ID 1395530