![#26;METHYL-6-DEOXY-6-[N'-[6-DEOXY-6-[N'-[6-DEOXY-6-[N'-(6-AZIDO-6-DEOXY-BETA-D-GLUCOPYRANOSYL)-THIOUREIDO]-BETA-D-GLUCOPYRANOSYL]-THIOUREIDO]-BETA-D-GLU](/api/spectrum/LJ8W1h9C3e8/structure.png?h=300&w=458 "#26;METHYL-6-DEOXY-6-[N'-[6-DEOXY-6-[N'-[6-DEOXY-6-[N'-(6-AZIDO-6-DEOXY-BETA-D-GLUCOPYRANOSYL)-THIOUREIDO]-BETA-D-GLUCOPYRANOSYL]-THIOUREIDO]-BETA-D-GLU")
| SpectraBase Compound ID | 1p3hNx5YVJW |
|---|---|
| InChI | InChI=1S/C28H49N9O17S3/c1-50-25-21(49)17(45)12(40)8(54-25)4-32-28(57)35-23-19(47)15(43)10(38)6(52-23)2-30-26(55)34-22-18(46)14(42)11(39)7(51-22)3-31-27(56)36-24-20(48)16(44)13(41)9(53-24)5-33-37-29/h6-25,38-49H,2-5H2,1H3,(H2,30,34,55)(H2,31,36,56)(H2,32,35,57)/t6-,7+,8+,9+,10-,11+,12+,13+,14-,15+,16-,17-,18+,19-,20+,21+,22+,23-,24+,25-/m0/s1 |
| InChIKey | QCVHBUKZJOITDL-JFSOMIHQSA-N |
| Mol Weight | 879.9 g/mol |
| Molecular Formula | C28H49N9O17S3 |
| Exact Mass | 879.240855 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LJ8W1h9C3e8 |
|---|---|
| Name | #26;METHYL-6-DEOXY-6-[N'-[6-DEOXY-6-[N'-[6-DEOXY-6-[N'-(6-AZIDO-6-DEOXY-BETA-D-GLUCOPYRANOSYL)-THIOUREIDO]-BETA-D-GLUCOPYRANOSYL]-THIOUREIDO]-BETA-D-GLU |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C28H49N9O17S3 |
| InChI | InChI=1S/C28H49N9O17S3/c1-50-25-21(49)17(45)12(40)8(54-25)4-32-28(57)35-23-19(47)15(43)10(38)6(52-23)2-30-26(55)34-22-18(46)14(42)11(39)7(51-22)3-31-27(56)36-24-20(48)16(44)13(41)9(53-24)5-33-37-29/h6-25,38-49H,2-5H2,1H3,(H2,30,34,55)(H2,31,36,56)(H2,32,35,57)/t6-,7+,8+,9+,10-,11+,12+,13+,14-,15+,16-,17-,18+,19-,20+,21+,22+,23-,24+,25-/m0/s1 |
| InChIKey | QCVHBUKZJOITDL-JFSOMIHQSA-N |
| Literature Reference Author | J.L.J.BLANCO,P.BOOTELLO,C.O.MELLET,J.M.G.FERNANDEZ |
| Literature Reference Citation | EUR.J.ORG.CHEM.,183(2006) |
| Molecular Weight | 879.927 g/mol |
| Sample ID | 42783 |
| Solvent | D2O |