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4-[2-[BIS-(2-[[2-(1-THIO-BETA-D-GALACTOPYRANOSYL)-ETHANOYL]-AMINO]-ETHYL)-AMINO]-ETHYLCARBAMOYL]-BUTYLMETHANETHIOSULFONATE;BIS-(2-[[2-(1-THIO-BETA
SpectraBase Compound ID FQBWtOdYodq
InChI InChI=1S/C28H52N4O15S4/c1-51(44,45)50-11-3-2-4-18(35)29-5-8-32(9-6-30-19(36)14-48-27-25(42)23(40)21(38)16(12-33)46-27)10-7-31-20(37)15-49-28-26(43)24(41)22(39)17(13-34)47-28/h16-17,21-28,33-34,38-43H,2-15H2,1H3,(H,29,35)(H,30,36)(H,31,37)/t16-,17+,21+,22-,23+,24-,25-,26+,27+,28-
InChIKey FYEQBGMXYWTPFQ-VNQBEVRWSA-N
Mol Weight 813.0 g/mol
Molecular Formula C28H52N4O15S4
Exact Mass 812.231202 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9aOr0cSfgRK
Name 4-[2-[BIS-(2-[[2-(1-THIO-BETA-D-GALACTOPYRANOSYL)-ETHANOYL]-AMINO]-ETHYL)-AMINO]-ETHYLCARBAMOYL]-BUTYLMETHANETHIOSULFONATE;BIS-(2-[[2-(1-THIO-BETA
Compound Number 2B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C28H52N4O15S4
InChI InChI=1S/C28H52N4O15S4/c1-51(44,45)50-11-3-2-4-18(35)29-5-8-32(9-6-30-19(36)14-48-27-25(42)23(40)21(38)16(12-33)46-27)10-7-31-20(37)15-49-28-26(43)24(41)22(39)17(13-34)47-28/h16-17,21-28,33-34,38-43H,2-15H2,1H3,(H,29,35)(H,30,36)(H,31,37)/t16-,17+,21+,22-,23+,24-,25-,26+,27+,28-
InChIKey FYEQBGMXYWTPFQ-VNQBEVRWSA-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 812.979 g/mol
Sample ID 31303
Solvent D2O