![4-[2-[BIS-(2-[[2-(1-THIO-BETA-D-GALACTOPYRANOSYL)-ETHANOYL]-AMINO]-ETHYL)-AMINO]-ETHYLCARBAMOYL]-BUTYLMETHANETHIOSULFONATE;BIS-(2-[[2-(1-THIO-BETA](/api/spectrum/9aOr0cSfgRK/structure.png?h=300&w=458 "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
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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 |