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2-Normonyl-4(5)(p-methylsulfanylphenyl)imidazle
SpectraBase Compound ID Aod5RlTPlvq
InChI InChI=1S/C26H36N2O5S/c1-14(10-23-27-12-20(28-23)17-5-7-19(34-4)8-6-17)9-21-25(31)24(30)18(13-32-21)11-22-26(33-22)15(2)16(3)29/h5-8,10,12,15-16,18,21-22,24-26,29-31H,9,11,13H2,1-4H3,(H,27,28)/b14-10+/t15-,16-,18-,21-,22-,24+,25-,26-/m0/s1
InChIKey FIMQZPXLFWXRRU-MGBIMMEDSA-N
Mol Weight 488.6 g/mol
Molecular Formula C26H36N2O5S
Exact Mass 488.234493 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 79Q6rjVSAkV
Name 2-Normonyl-4(5)(p-methylsulfanylphenyl)imidazle
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Formula C26H36N2O5S
InChI InChI=1S/C26H36N2O5S/c1-14(10-23-27-12-20(28-23)17-5-7-19(34-4)8-6-17)9-21-25(31)24(30)18(13-32-21)11-22-26(33-22)15(2)16(3)29/h5-8,10,12,15-16,18,21-22,24-26,29-31H,9,11,13H2,1-4H3,(H,27,28)/b14-10+/t15-,16-,18-,21-,22-,24+,25-,26-/m0/s1
InChIKey FIMQZPXLFWXRRU-MGBIMMEDSA-N
Molecular Weight 488.643 g/mol
SMILES O[C@]([C@@]([C@@]1(O[C@]1(C[C@]1(CO[C@]([C@@]([C@@]1(O)[H])(O)[H])(C\C(=C\c1nc(-c2ccc(cc2)SC)c[nH]1)C)[H])[H])[H])[H])(C)[H])(C)[H]
SPLASH splash10-0006-0090000000-e176e045878e275691d3
Source of Spectrum KC-0-2662-3
Synonyms (2S,3R,4R,5S)-5-[(2S,3S)-3-((1S,2S)-2-Hydroxy-1-methyl-propyl)-oxiranylmethyl]-2-{(E)-2-methyl-3-[4-(4-methylsulfanyl-phenyl)-1H-imidazol-2-yl]-allyl}-tetrahydro-pyran-3,4-diol (3R,4R)-5-{[(2S,3S)-3-(3-hydroxybutan-2-yl)oxiran-2-yl]methyl}-2-[(2E)-2-methyl-3-{4-[4-(methylsulfanyl)phenyl]-1H-imidazol-2-yl}prop-2-en-1-yl]oxane-3,4-diol (2S,3R,4R,5S)-5-[[(2S,3S)-3-[(2S,3S)-3-hydroxybutan-2-yl]-2-oxiranyl]methyl]-2-[(E)-2-methyl-3-[5-[4-(methylthio)phenyl]-1H-imidazol-2-yl]prop-2-enyl]oxane-3,4-diol (2S,3R,4R,5S)-5-[[(2S,3S)-3-[(2S,3S)-3-hydroxybutan-2-yl]oxiran-2-yl]methyl]-2-[(E)-2-methyl-3-[5-(4-methylsulfanylphenyl)-1H-imidazol-2-yl]prop-2-enyl]oxane-3,4-diol (2S,3R,4R,5S)-5-[[(2S,3S)-3-[(1S,2S)-2-hydroxy-1-methyl-propyl]oxiran-2-yl]methyl]-2-[(E)-2-methyl-3-[5-(4-methylsulfanylphenyl)-1H-imidazol-2-yl]allyl]tetrahydropyran-3,4-diol (2S,3R,4R,5S)-2-[(E)-2-methyl-3-[5-(4-methylsulfanylphenyl)-1H-imidazol-2-yl]prop-2-enyl]-5-[[(2S,3S)-3-[(2S,3S)-3-oxidanylbutan-2-yl]oxiran-2-yl]methyl]oxane-3,4-diol
Wiley ID 782310