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N-Phenacyl-N'-(3,4,6-tri-O-acetyl-2-deoxy-.beta.-D-arabinohexopyranosyl)thiorea
SpectraBase Compound ID LakYv3pmpOU
InChI InChI=1S/C21H26N2O8S/c1-12(24)28-11-18-20(30-14(3)26)17(29-13(2)25)9-19(31-18)23-21(32)22-10-16(27)15-7-5-4-6-8-15/h4-8,17-20H,9-11H2,1-3H3,(H2,22,23,32)/t17-,18-,19+,20+/m1/s1
InChIKey FRLDQLPUGHQWBX-ZRNYENFQSA-N
Mol Weight 466.51 g/mol
Molecular Formula C21H26N2O8S
Exact Mass 466.140987 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5tCIj5jbBZg
Name N-Phenacyl-N'-(3,4,6-tri-O-acetyl-2-deoxy-.beta.-D-arabinohexopyranosyl)thiorea
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H26N2O8S
InChI InChI=1S/C21H26N2O8S/c1-12(24)28-11-18-20(30-14(3)26)17(29-13(2)25)9-19(31-18)23-21(32)22-10-16(27)15-7-5-4-6-8-15/h4-8,17-20H,9-11H2,1-3H3,(H2,22,23,32)/t17-,18-,19+,20+/m1/s1
InChIKey FRLDQLPUGHQWBX-ZRNYENFQSA-N
Molecular Weight 466.505 g/mol
SMILES N([C@]1(O[C@@]([C@]([C@@](C1)(OC(=O)C)[H])(OC(=O)C)[H])(COC(=O)C)[H])[H])C(NCC(=O)c1ccccc1)=S
SPLASH splash10-03dj-9500000000-3262eef0a27dfa572ee8
Source of Spectrum F-47-5806-9
Synonyms 3,4,6-tri-O-acetyl-2-deoxy-N-{[(2-oxo-2-phenylethyl)amino]carbothioyl}-.alpha.-D-arabino-hexopyranosylamine
Wiley ID 1391875