![#3;4-[2-[(2-[[2-[[5-(4-[2-[BIS-(2-[[2-(1-THIO-BETA-D-GALACTOPYRANOSYL)-ETHANOYL]-AMINO]-ETHYL)-AMINO]-ETHYLCARBAMOYL]-PROPYLSULFANYL)-ETHANOYL]-AMINO]-ETHYL)-(](/api/spectrum/8HtWHvgqtZ8/structure.png?h=300&w=458 "#3;4-[2-[(2-[[2-[[5-(4-[2-[BIS-(2-[[2-(1-THIO-BETA-D-GALACTOPYRANOSYL)-ETHANOYL]-AMINO]-ETHYL)-AMINO]-ETHYLCARBAMOYL]-PROPYLSULFANYL)-ETHANOYL]-AMINO]-ETHYL)-(")
| SpectraBase Compound ID | 8Y5HX9jPUM6 |
|---|---|
| InChI | InChI=1S/C48H88N8O23S6/c1-85(75,76)84-20-3-2-5-31(60)49-7-13-55(16-10-52-34(63)25-81-46-43(72)40(69)37(66)28(21-57)77-46)15-9-51-33(62)24-80-19-4-6-32(61)50-8-14-56(17-11-53-35(64)26-82-47-44(73)41(70)38(67)29(22-58)78-47)18-12-54-36(65)27-83-48-45(74)42(71)39(68)30(23-59)79-48/h28-30,37-48,57-59,66-74H,2-27H2,1H3,(H,49,60)(H,50,61)(H,51,62)(H,52,63)(H,53,64)(H,54,65)/t28-,29-,30+,37+,38+,39-,40+,41+,42-,43-,44-,45+,46+,47+,48-/m0/s1 |
| InChIKey | ITMQZLVYXLMNOU-DJSKJLBPSA-N |
| Mol Weight | 1337.6 g/mol |
| Molecular Formula | C48H88N8O23S6 |
| Exact Mass | 1336.428658 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8HtWHvgqtZ8 |
|---|---|
| Name | #3;4-[2-[(2-[[2-[[5-(4-[2-[BIS-(2-[[2-(1-THIO-BETA-D-GALACTOPYRANOSYL)-ETHANOYL]-AMINO]-ETHYL)-AMINO]-ETHYLCARBAMOYL]-PROPYLSULFANYL)-ETHANOYL]-AMINO]-ETHYL)-( |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C48H88N8O23S6 |
| InChI | InChI=1S/C48H88N8O23S6/c1-85(75,76)84-20-3-2-5-31(60)49-7-13-55(16-10-52-34(63)25-81-46-43(72)40(69)37(66)28(21-57)77-46)15-9-51-33(62)24-80-19-4-6-32(61)50-8-14-56(17-11-53-35(64)26-82-47-44(73)41(70)38(67)29(22-58)78-47)18-12-54-36(65)27-83-48-45(74)42(71)39(68)30(23-59)79-48/h28-30,37-48,57-59,66-74H,2-27H2,1H3,(H,49,60)(H,50,61)(H,51,62)(H,52,63)(H,53,64)(H,54,65)/t28-,29-,30+,37+,38+,39-,40+,41+,42-,43-,44-,45+,46+,47+,48-/m0/s1 |
| InChIKey | ITMQZLVYXLMNOU-DJSKJLBPSA-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 | 1337.627 g/mol |
| Sample ID | 31304 |
| Solvent | D2O |