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5-Methyl-1-(2',3',4'-tri-O-benzoyl-.beta.D-glucopyranosyl)-4-imidazoline-2-thione
SpectraBase Compound ID ETDrvRrhkjd
InChI InChI=1S/C31H28N2O8S/c1-19-17-32-31(42)33(19)27-26(41-30(37)22-15-9-4-10-16-22)25(40-29(36)21-13-7-3-8-14-21)24(23(18-34)38-27)39-28(35)20-11-5-2-6-12-20/h2-17,23-27,34H,18H2,1H3,(H,32,42)/t23?,24-,25-,26?,27+/m0/s1
InChIKey HTYYHQKHCHQXPB-DVVWCFKTSA-N
Mol Weight 588.63 g/mol
Molecular Formula C31H28N2O8S
Exact Mass 588.156637 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FjLrSxtCvRu
Name 5-Methyl-1-(2',3',4'-tri-O-benzoyl-.beta.D-glucopyranosyl)-4-imidazoline-2-thione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C31H28N2O8S
InChI InChI=1S/C31H28N2O8S/c1-19-17-32-31(42)33(19)27-26(41-30(37)22-15-9-4-10-16-22)25(40-29(36)21-13-7-3-8-14-21)24(23(18-34)38-27)39-28(35)20-11-5-2-6-12-20/h2-17,23-27,34H,18H2,1H3,(H,32,42)/t23?,24-,25-,26?,27+/m0/s1
InChIKey HTYYHQKHCHQXPB-DVVWCFKTSA-N
Molecular Weight 588.631 g/mol
SMILES OCC1[C@@]([C@@](C([C@](N2C(NC=C2C)=S)(O1)[H])OC(=O)c1ccccc1)(OC(=O)c1ccccc1)[H])(OC(=O)c1ccccc1)[H]
SPLASH splash10-0ab9-1900000000-f9a21bb0afa45d2e19ba
Source of Spectrum F-48-6421-9
Synonyms (3S,4S,6R)-3,5-bis(benzoyloxy)-2-(hydroxymethyl)-6-(5-methyl-2-sulfanylidene-2,3-dihydro-1H-imidazol-1-yl)oxan-4-yl benzoate
Wiley ID 1409177