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5-Methyl-1-(2',3',4'-tri-O-acetyl-.beta.D-glucopyranosyl)-4-imidazoline-2-thione

View entire compound with spectra: 1 MS (GC)

5-Methyl-1-(2',3',4'-tri-O-acetyl-.beta.D-glucopyranosyl)-4-imidazoline-2-thione
SpectraBase Compound ID IlWFJ3KRuj7
InChI InChI=1S/C16H22N2O8S/c1-7-5-17-16(27)18(7)15-14(25-10(4)22)13(24-9(3)21)12(23-8(2)20)11(6-19)26-15/h5,11-15,19H,6H2,1-4H3,(H,17,27)/t11-,12-,13+,14-,15-/m1/s1
InChIKey QZYOQRSMXXRXPZ-UXXRCYHCSA-N
Mol Weight 402.42 g/mol
Molecular Formula C16H22N2O8S
Exact Mass 402.109687 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 70EzpJD4OSp
Name 5-Methyl-1-(2',3',4'-tri-O-acetyl-.beta.D-glucopyranosyl)-4-imidazoline-2-thione
Alternate Name(s) (2R,3R,4S,5R,6R)-4,5-bis(acetyloxy)-2-(hydroxymethyl)-6-(5-methyl-2-sulfanylidene-2,3-dihydro-1H-imidazol-1-yl)oxan-3-yl acetate Acetic acid[(2R,3R,4S,5R,6R)-4,5-diacetoxy-2-methylol-6-(5-methyl-2-thioxo-4-imidazolin-1-yl)tetrahydropyran-3-yl]ester Acetic acid[(2R,3R,4S,5R,6R)-4,5-diacetyloxy-2-(hydroxymethyl)-6-(4-methyl-2-sulfanylidene-1H-imidazol-3-yl)-3-oxanyl]ester [(2R,3R,4S,5R,6R)-4,5-diacetoxy-2-(hydroxymethyl)-6-(4-methyl-2-thioxo-1H-imidazol-3-yl)tetrahydropyran-3-yl]acetate [(2R,3R,4S,5R,6R)-4,5-diacetyloxy-2-(hydroxymethyl)-6-(4-methyl-2-sulfanylidene-1H-imidazol-3-yl)oxan-3-yl]acetate [(2R,3R,4S,5R,6R)-4,5-diacetyloxy-2-(hydroxymethyl)-6-(4-methyl-2-sulfanylidene-1H-imidazol-3-yl)oxan-3-yl]ethanoate Acetic acid [(2R,3R,4S,5R,6R)-4,5-diacetyloxy-2-(hydroxymethyl)-6-(4-methyl-2-sulfanylidene-1H-imidazol-3-yl)-3-oxanyl] ester [(2R,3R,4S,5R,6R)-4,5-diacetyloxy-2-(hydroxymethyl)-6-(4-methyl-2-sulfanylidene-1H-imidazol-3-yl)oxan-3-yl] acetate [(2R,3R,4S,5R,6R)-4,5-diacetoxy-2-(hydroxymethyl)-6-(4-methyl-2-thioxo-1H-imidazol-3-yl)tetrahydropyran-3-yl] acetate [(2R,3R,4S,5R,6R)-4,5-diacetyloxy-2-(hydroxymethyl)-6-(4-methyl-2-sulfanylidene-1H-imidazol-3-yl)oxan-3-yl] ethanoate
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Formula C16H22N2O8S
InChI InChI=1S/C16H22N2O8S/c1-7-5-17-16(27)18(7)15-14(25-10(4)22)13(24-9(3)21)12(23-8(2)20)11(6-19)26-15/h5,11-15,19H,6H2,1-4H3,(H,17,27)/t11-,12-,13+,14-,15-/m1/s1
InChIKey QZYOQRSMXXRXPZ-UXXRCYHCSA-N
Molecular Weight 402.418 g/mol
SMILES OC[C@@]1([C@]([C@@]([C@]([C@](N2C(NC=C2C)=S)(O1)[H])(OC(=O)C)[H])(OC(=O)C)[H])(OC(=O)C)[H])[H]
SPLASH splash10-0296-6901100000-b0e1df7dbe4f7fa91a9b
Source of Spectrum F-48-6421-8
Wiley ID 1370179