![TRIS-[2-[3-(6'-DEOXY-1'-O-METHYL-ALPHA-D-MANNOPYRANOS-6'-YL)-THIOUREIDO]-ETHYL]-AMINE](/api/spectrum/1RKfkiOJ9NZ/structure.png?h=300&w=458 "TRIS-[2-[3-(6'-DEOXY-1'-O-METHYL-ALPHA-D-MANNOPYRANOS-6'-YL)-THIOUREIDO]-ETHYL]-AMINE")
| SpectraBase Compound ID | FNdNm0lkHTp |
|---|---|
| InChI | InChI=1S/C30H57N7O15S3/c1-47-25-22(44)19(41)16(38)13(50-25)10-34-28(53)31-4-7-37(8-5-32-29(54)35-11-14-17(39)20(42)23(45)26(48-2)51-14)9-6-33-30(55)36-12-15-18(40)21(43)24(46)27(49-3)52-15/h13-27,38-46H,4-12H2,1-3H3,(H2,31,34,53)(H2,32,35,54)(H2,33,36,55)/t13-,14-,15+,16-,17-,18+,19+,20+,21-,22+,23+,24-,25+,26+,27-/m1/s1 |
| InChIKey | WUKDNFCBNVAMDA-MRVWVWJWSA-N |
| Mol Weight | 852.0 g/mol |
| Molecular Formula | C30H57N7O15S3 |
| Exact Mass | 851.307478 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1RKfkiOJ9NZ |
|---|---|
| Name | TRIS-[2-[3-(6'-DEOXY-1'-O-METHYL-ALPHA-D-MANNOPYRANOS-6'-YL)-THIOUREIDO]-ETHYL]-AMINE |
| Compound Number | 23 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C30H57N7O15S3 |
| InChI | InChI=1S/C30H57N7O15S3/c1-47-25-22(44)19(41)16(38)13(50-25)10-34-28(53)31-4-7-37(8-5-32-29(54)35-11-14-17(39)20(42)23(45)26(48-2)51-14)9-6-33-30(55)36-12-15-18(40)21(43)24(46)27(49-3)52-15/h13-27,38-46H,4-12H2,1-3H3,(H2,31,34,53)(H2,32,35,54)(H2,33,36,55)/t13-,14-,15+,16-,17-,18+,19+,20+,21-,22+,23+,24-,25+,26+,27-/m1/s1 |
| InChIKey | WUKDNFCBNVAMDA-MRVWVWJWSA-N |
| Literature Reference Author | S.KOETTER,U.KRALLMANN-WENZEL,S.EHLERS,T.K.LINDHORST |
| Literature Reference Citation | J.CHEM.SOC.PERKIN-1,2193(1998) |
| Literature Reference DOI | 10.1039/a801985a |
| Molecular Weight | 852.000 g/mol |
| Solvent | D2O:CD3CN |
| Source File Reference | UWPA520 |