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S,S'-Diacetyl-.beta.,.beta.-carotene-4,4'-dithiol

View entire compound with spectra: 2 MS (GC)

S,S'-Diacetyl-.beta.,.beta.-carotene-4,4'-dithiol
SpectraBase Compound ID AkGbp5Ct3Qe
InChI InChI=1S/C44H60O2S2/c1-31(19-15-21-33(3)23-25-39-35(5)41(47-37(7)45)27-29-43(39,9)10)17-13-14-18-32(2)20-16-22-34(4)24-26-40-36(6)42(48-38(8)46)28-30-44(40,11)12/h13-26,41-42H,27-30H2,1-12H3/b14-13+,19-15+,20-16+,25-23+,26-24+,31-17+,32-18+,33-21+,34-22+
InChIKey DNXCNXMNRXYAQY-HOEKICHESA-N
Mol Weight 685.1 g/mol
Molecular Formula C44H60O2S2
Exact Mass 684.403474 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4QpMjpBB9Ut
Name S,S'-Diacetyl-.beta.,.beta.-carotene-4,4'-dithiol
Alternate Name(s) Ethanethioic acid S-[3-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-[3-(acetylthio)-2,6,6-trimethyl-1-cyclohexenyl]-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-2,4,4-trimethyl-1-cyclohex-2-enyl]ester 4,4'-bis(Acetylthio)-.beta.,.beta.-carotene Ethanethioic acid S-[3-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-[3-(acetylthio)-2,6,6-trimethyl-cyclohexen-1-yl]-3,7,12,16-tetramethyl-octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-2,4,4-trimethyl-cyclohex-2-en-1-yl]ester S-(3-{(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-[3-(acetylsulfanyl)-2,6,6-trimethyl-1-cyclohexen-1-yl]-3,7,12,16-tetramethyl-1,3,5,7,9,11,13,15,17-octadecanonaenyl}-2,4,4-trimethyl-2-cyclohexen-1-yl) ethanethioate S-[3-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-(3-acetylsulfanyl-2,6,6-trimethyl-cyclohexen-1-yl)-3,7,12,16-tetramethyl-octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-2,4,4-trimethyl-cyclohex-2-en-1-yl]ethanethioate S-[3-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-(3-ethanoylsulfanyl-2,6,6-trimethyl-cyclohexen-1-yl)-3,7,12,16-tetramethyl-octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-2,4,4-trimethyl-cyclohex-2-en-1-yl]ethanethioate S,S'-(((1E,3E,5E,7E,9E,11E,13E,15E,17E)-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaene-1,18-diyl)bis(2,4,4-trimethylcyclohex-2-ene-3,1-diyl)) diethanethioate Ethanethioic acid S-[3-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-[3-(acetylthio)-2,6,6-trimethyl-1-cyclohexenyl]-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-2,4,4-trimethyl-1-cyclohex-2-enyl] ester S-[3-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-(3-acetylsulfanyl-2,6,6-trimethylcyclohexen-1-yl)-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-2,4,4-trimethylcyclohex-2-en-1-yl] ethanethioate S-[3-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-(3-acetylsulfanyl-2,6,6-trimethyl-cyclohexen-1-yl)-3,7,12,16-tetramethyl-octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-2,4,4-trimethyl-cyclohex-2-en-1-yl] ethanethioate S-[3-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-(3-ethanoylsulfanyl-2,6,6-trimethyl-cyclohexen-1-yl)-3,7,12,16-tetramethyl-octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-2,4,4-trimethyl-cyclohex-2-en-1-yl] ethanethioate
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Formula C44H60O2S2
InChI InChI=1S/C44H60O2S2/c1-31(19-15-21-33(3)23-25-39-35(5)41(47-37(7)45)27-29-43(39,9)10)17-13-14-18-32(2)20-16-22-34(4)24-26-40-36(6)42(48-38(8)46)28-30-44(40,11)12/h13-26,41-42H,27-30H2,1-12H3/b14-13+,19-15+,20-16+,25-23+,26-24+,31-17+,32-18+,33-21+,34-22+
InChIKey DNXCNXMNRXYAQY-HOEKICHESA-N
Molecular Weight 685.082 g/mol
SMILES C1(=C(C(SC(=O)C)CCC1(C)C)C)\C=C\C(=C\C=C\C(=C\C=C\C=C\(\C=C\C=C\(\C=C\C1=C(C(SC(=O)C)CCC1(C)C)C)C)C)C)C
SPLASH splash10-0089-0000049000-2b5675e4d25a82db20e9
Source of Spectrum SB-44-65-6
Wiley ID 744674