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Avarol-3'-[thio(benzothiazole)]

View entire compound with spectra: 1 MS (GC)

Avarol-3'-[thio(benzothiazole)]
SpectraBase Compound ID J4I7wE6W4j9
InChI InChI=1S/C28H33NO2S2/c1-17-8-7-11-24-27(17,3)13-12-18(2)28(24,4)16-19-14-20(30)15-23(25(19)31)33-26-29-21-9-5-6-10-22(21)32-26/h5-6,8-10,14-15,18,24,30-31H,7,11-13,16H2,1-4H3/t18-,24+,27+,28+/m0/s1
InChIKey YPIJUFYXFHJDPD-JWNPUDRZSA-N
Mol Weight 479.7 g/mol
Molecular Formula C28H33NO2S2
Exact Mass 479.195272 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4pAJeDUFU2P
Name Avarol-3'-[thio(benzothiazole)]
Alternate Name(s) 2-[[(1R,2S,4aS,8aS)-1,2,4a,5-tetramethyl-2,3,4,7,8,8a-hexahydronaphthalen-1-yl]methyl]-6-(1,3-benzothiazol-2-ylthio)benzene-1,4-diol 2-[[(1R,2S,4aS,8aS)-1,2,4a,5-tetramethyl-2,3,4,7,8,8a-hexahydronaphthalen-1-yl]methyl]-6-(1,3-benzothiazol-2-ylsulfanyl)benzene-1,4-diol
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Formula C28H33NO2S2
InChI InChI=1S/C28H33NO2S2/c1-17-8-7-11-24-27(17,3)13-12-18(2)28(24,4)16-19-14-20(30)15-23(25(19)31)33-26-29-21-9-5-6-10-22(21)32-26/h5-6,8-10,14-15,18,24,30-31H,7,11-13,16H2,1-4H3/t18-,24+,27+,28+/m0/s1
InChIKey YPIJUFYXFHJDPD-JWNPUDRZSA-N
Molecular Weight 479.697 g/mol
SMILES Oc1cc(c(c(c1)Sc1nc2ccccc2s1)O)C[C@]1([C@]2([C@](C(=CCC2)C)(C)CC[C@@]1(C)[H])[H])C
SPLASH splash10-000b-9720100000-ccdb5f25fd68e5765e96
Source of Spectrum G4-71-1852-8
Wiley ID 1695225