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1,3-BIS-(5-THIO-BETA-D-GALACTOPYRANOSYLDISULFANYLMETHYL)-5-METHANETHIOSULFONATOMETHYL-2,4,6-TRIMETHYLBENZENE
SpectraBase Compound ID CpgFo58qZZ
InChI InChI=1S/C25H40O12S6/c1-10-13(7-38-41-24-22(32)20(30)18(28)16(5-26)36-24)11(2)15(9-40-43(4,34)35)12(3)14(10)8-39-42-25-23(33)21(31)19(29)17(6-27)37-25/h16-33H,5-9H2,1-4H3/t16-,17+,18+,19-,20+,21-,22-,23+,24+,25-
InChIKey OVESQDTZPWYYQW-VMAJXAQBSA-N
Mol Weight 724.9 g/mol
Molecular Formula C25H40O12S6
Exact Mass 724.084404 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9SPT8K526TW
Name 1,3-BIS-(5-THIO-BETA-D-GALACTOPYRANOSYLDISULFANYLMETHYL)-5-METHANETHIOSULFONATOMETHYL-2,4,6-TRIMETHYLBENZENE
Compound Number 2A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C25H40O12S6
InChI InChI=1S/C25H40O12S6/c1-10-13(7-38-41-24-22(32)20(30)18(28)16(5-26)36-24)11(2)15(9-40-43(4,34)35)12(3)14(10)8-39-42-25-23(33)21(31)19(29)17(6-27)37-25/h16-33H,5-9H2,1-4H3/t16-,17+,18+,19-,20+,21-,22-,23+,24+,25-
InChIKey OVESQDTZPWYYQW-VMAJXAQBSA-N
Literature Reference Author P.M.RENDLE,A.SEGER,J.RODRIGUES,N.J.OLDHAM,R.R.BOTT,J.B.JONES ,M.M.COWAN,B.G.DAVIS
Literature Reference Citation J.AM.CHEM.SOC.,126,4750(2004)
Literature Reference DOI 10.1021/ja031698u
Molecular Weight 724.945 g/mol
Sample ID 31302
Solvent CD3OD