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5,5'-DIISOPROPYL-2,2'-DITHIOPROPANE-4,4-DIMETHOXY-7,7'-DIMETHYL-2H,2'H-[8,8']-BI-[NAPHTHO-[1,8-BC]-FURANYL]-3,3'-DIOL
SpectraBase Compound ID IM3AEEf64bt
InChI InChI=1S/C35H38O6S2/c1-14(2)20-18-12-16(5)22-23-17(6)13-19-21(15(3)4)29(37)33(39-8)27-25(19)31(23)41-35(27)43-11-9-10-42-34-26(24(18)30(22)40-34)32(38-7)28(20)36/h12-15,34-37H,9-11H2,1-8H3
InChIKey JFNCSGKAGOJBNT-UHFFFAOYSA-N
Mol Weight 618.8 g/mol
Molecular Formula C35H38O6S2
Exact Mass 618.210981 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3v4JhFbM34K
Name 5,5'-DIISOPROPYL-2,2'-DITHIOPROPANE-4,4-DIMETHOXY-7,7'-DIMETHYL-2H,2'H-[8,8']-BI-[NAPHTHO-[1,8-BC]-FURANYL]-3,3'-DIOL
Compound Number 6
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C35H38O6S2
InChI InChI=1S/C35H38O6S2/c1-14(2)20-18-12-16(5)22-23-17(6)13-19-21(15(3)4)29(37)33(39-8)27-25(19)31(23)41-35(27)43-11-9-10-42-34-26(24(18)30(22)40-34)32(38-7)28(20)36/h12-15,34-37H,9-11H2,1-8H3
InChIKey JFNCSGKAGOJBNT-UHFFFAOYSA-N
Literature Reference Author V.T.DAO,M.K.DOWD,C.GASPARD,M.T.MARTIN,J.HEMEZ,O.LAPREVOTE,M. MAYER,R.J.MICHELOT
Literature Reference Citation BIOORG.MED.CHEM.,11,2001(2003)
Literature Reference DOI 10.1016/S0968-0896(03)00066-X
Molecular Weight 618.803 g/mol
Sample ID 29150
Solvent CDCl3