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(1R,2R,3R,4S)-2,3-Diacetoxy-1-((Z-2'-cyano-2'-tert-butylmercaptoethenyl)amino)-4-hydroxycyclohex-5-ene

View entire compound with spectra: 1 MS (GC)

(1R,2R,3R,4S)-2,3-Diacetoxy-1-((Z-2'-cyano-2'-tert-butylmercaptoethenyl)amino)-4-hydroxycyclohex-5-ene
SpectraBase Compound ID C5CnVxm2nGm
InChI InChI=1S/C17H24N2O5S/c1-10(20)23-15-13(6-7-14(22)16(15)24-11(2)21)19-9-12(8-18)25-17(3,4)5/h6-7,9,13-16,19,22H,1-5H3/b12-9-/t13-,14+,15-,16-/m1/s1
InChIKey AVBBKVIKCSPQKT-IFFOLYOZSA-N
Mol Weight 368.45 g/mol
Molecular Formula C17H24N2O5S
Exact Mass 368.140593 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7Dym6qAITxH
Name (1R,2R,3R,4S)-2,3-Diacetoxy-1-((Z-2'-cyano-2'-tert-butylmercaptoethenyl)amino)-4-hydroxycyclohex-5-ene
Alternate Name(s) (1R,2R,5S,6R)-6-(acetyloxy)-2-{[(Z)-2-(tert-butylsulfanyl)-2-cyanoethenyl]amino}-5-hydroxy-3-cyclohexen-1-yl acetate Acetic acid[(1R,2R,5S,6R)-6-acetoxy-2-[[(Z)-2-(tert-butylthio)-2-cyano-vinyl]amino]-5-hydroxy-cyclohex-3-en-1-yl]ester Acetic acid[(1R,2R,5S,6R)-6-acetyloxy-2-[[(Z)-2-(tert-butylthio)-2-cyanoethenyl]amino]-5-hydroxy-1-cyclohex-3-enyl]ester [(1R,2R,5S,6R)-6-acetoxy-2-[[(Z)-2-tert-butylsulfanyl-2-cyano-vinyl]amino]-5-hydroxy-cyclohex-3-en-1-yl]acetate [(1R,2R,5S,6R)-6-acetyloxy-2-[[(Z)-2-tert-butylsulfanyl-2-cyano-ethenyl]amino]-5-oxidanyl-cyclohex-3-en-1-yl]ethanoate [(1R,2R,5S,6R)-6-acetyloxy-2-[[(Z)-2-tert-butylsulfanyl-2-cyanoethenyl]amino]-5-hydroxycyclohex-3-en-1-yl]acetate Acetic acid [(1R,2R,5S,6R)-6-acetyloxy-2-[[(Z)-2-(tert-butylthio)-2-cyanoethenyl]amino]-5-hydroxy-1-cyclohex-3-enyl] ester [(1R,2R,5S,6R)-6-acetyloxy-2-[[(Z)-2-tert-butylsulfanyl-2-cyanoethenyl]amino]-5-hydroxycyclohex-3-en-1-yl] acetate [(1R,2R,5S,6R)-6-acetoxy-2-[[(Z)-2-tert-butylsulfanyl-2-cyano-vinyl]amino]-5-hydroxy-cyclohex-3-en-1-yl] acetate [(1R,2R,5S,6R)-6-acetyloxy-2-[[(Z)-2-tert-butylsulfanyl-2-cyano-ethenyl]amino]-5-oxidanyl-cyclohex-3-en-1-yl] ethanoate
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Formula C17H24N2O5S
InChI InChI=1S/C17H24N2O5S/c1-10(20)23-15-13(6-7-14(22)16(15)24-11(2)21)19-9-12(8-18)25-17(3,4)5/h6-7,9,13-16,19,22H,1-5H3/b12-9-/t13-,14+,15-,16-/m1/s1
InChIKey AVBBKVIKCSPQKT-IFFOLYOZSA-N
Molecular Weight 368.448 g/mol
SMILES O[C@]1(C=C[C@]([C@]([C@@]1(OC(=O)C)[H])(OC(=O)C)[H])(N\C=C\(C#N)SC(C)(C)C)[H])[H]
SPLASH splash10-0006-9202000000-bb7e1183ca45fa4e2ed9
Source of Spectrum QC-1-411-19
Wiley ID 882803