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(1R,2S,3R,4S)-1-[(Z-2'-Cyano-2'-tert-butylmercaptoethenyl)amino]-2,3-diacetoxy-4-hydroxycyclohex-5-ene

View entire compound with spectra: 1 MS (GC)

(1R,2S,3R,4S)-1-[(Z-2'-Cyano-2'-tert-butylmercaptoethenyl)amino]-2,3-diacetoxy-4-hydroxycyclohex-5-ene
SpectraBase Compound ID 7wbSvRrw1zV
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-TZPHHKNISA-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 BsJE85AopvK
Name (1R,2S,3R,4S)-1-[(Z-2'-Cyano-2'-tert-butylmercaptoethenyl)amino]-2,3-diacetoxy-4-hydroxycyclohex-5-ene
Alternate Name(s) (1R,2S,5R,6S)-6-(acetyloxy)-5-{[(Z)-2-(tert-butylsulfanyl)-2-cyanoethenyl]amino}-2-hydroxy-3-cyclohexen-1-yl acetate Acetic acid[(1S,2R,5S,6R)-6-acetoxy-2-[[(Z)-2-(tert-butylthio)-2-cyano-vinyl]amino]-5-hydroxy-cyclohex-3-en-1-yl]ester Acetic acid[(1S,2R,5S,6R)-6-acetyloxy-2-[[(Z)-2-(tert-butylthio)-2-cyanoethenyl]amino]-5-hydroxy-1-cyclohex-3-enyl]ester [(1S,2R,5S,6R)-6-acetoxy-2-[[(Z)-2-tert-butylsulfanyl-2-cyano-vinyl]amino]-5-hydroxy-cyclohex-3-en-1-yl]acetate [(1S,2R,5S,6R)-6-acetyloxy-2-[[(Z)-2-tert-butylsulfanyl-2-cyano-ethenyl]amino]-5-oxidanyl-cyclohex-3-en-1-yl]ethanoate [(1S,2R,5S,6R)-6-acetyloxy-2-[[(Z)-2-tert-butylsulfanyl-2-cyanoethenyl]amino]-5-hydroxycyclohex-3-en-1-yl]acetate Acetic acid [(1S,2R,5S,6R)-6-acetyloxy-2-[[(Z)-2-(tert-butylthio)-2-cyanoethenyl]amino]-5-hydroxy-1-cyclohex-3-enyl] ester [(1S,2R,5S,6R)-6-acetyloxy-2-[[(Z)-2-tert-butylsulfanyl-2-cyanoethenyl]amino]-5-hydroxycyclohex-3-en-1-yl] acetate [(1S,2R,5S,6R)-6-acetoxy-2-[[(Z)-2-tert-butylsulfanyl-2-cyano-vinyl]amino]-5-hydroxy-cyclohex-3-en-1-yl] acetate [(1S,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-TZPHHKNISA-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 splash10-0006-9404000000-dea49b6477cc253ffd7a
Source of Spectrum QC-1-410-18
Wiley ID 882805