![TRIS-[2-[3-(2',3',4'-TRI-O-BENZOYL-6'-DEOXY-1'-O-METHYL-ALPHA-D-MANNOPYRANOS-6'-YL)-THIOUREIDO]-ETHYL]-AMINE](/api/spectrum/9VCCpvkgqkw/structure.png?h=300&w=458 "TRIS-[2-[3-(2',3',4'-TRI-O-BENZOYL-6'-DEOXY-1'-O-METHYL-ALPHA-D-MANNOPYRANOS-6'-YL)-THIOUREIDO]-ETHYL]-AMINE")
| SpectraBase Compound ID | Lk30xissZBt |
|---|---|
| InChI | InChI=1S/C93H93N7O24S3/c1-110-88-76(122-85(107)64-43-25-10-26-44-64)73(119-82(104)61-37-19-7-20-38-61)70(116-79(101)58-31-13-4-14-32-58)67(113-88)55-97-91(125)94-49-52-100(53-50-95-92(126)98-56-68-71(117-80(102)59-33-15-5-16-34-59)74(120-83(105)62-39-21-8-22-40-62)77(89(111-2)114-68)123-86(108)65-45-27-11-28-46-65)54-51-96-93(127)99-57-69-72(118-81(103)60-35-17-6-18-36-60)75(121-84(106)63-41-23-9-24-42-63)78(90(112-3)115-69)124-87(109)66-47-29-12-30-48-66/h4-48,67-78,88-90H,49-57H2,1-3H3,(H2,94,97,125)(H2,95,98,126)(H2,96,99,127)/t67-,68-,69-,70-,71-,72-,73+,74+,75+,76+,77+,78+,88+,89+,90+/m0/s1 |
| InChIKey | MNRLKPLPDDIDFE-WOJCJKSISA-N |
| Mol Weight | 1789.0 g/mol |
| Molecular Formula | C93H93N7O24S3 |
| Exact Mass | 1787.54341 g/mol |
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| SpectraBase Spectrum ID | 9VCCpvkgqkw |
|---|---|
| Name | TRIS-[2-[3-(2',3',4'-TRI-O-BENZOYL-6'-DEOXY-1'-O-METHYL-ALPHA-D-MANNOPYRANOS-6'-YL)-THIOUREIDO]-ETHYL]-AMINE |
| Compound Number | 21 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C93H93N7O24S3 |
| InChI | InChI=1S/C93H93N7O24S3/c1-110-88-76(122-85(107)64-43-25-10-26-44-64)73(119-82(104)61-37-19-7-20-38-61)70(116-79(101)58-31-13-4-14-32-58)67(113-88)55-97-91(125)94-49-52-100(53-50-95-92(126)98-56-68-71(117-80(102)59-33-15-5-16-34-59)74(120-83(105)62-39-21-8-22-40-62)77(89(111-2)114-68)123-86(108)65-45-27-11-28-46-65)54-51-96-93(127)99-57-69-72(118-81(103)60-35-17-6-18-36-60)75(121-84(106)63-41-23-9-24-42-63)78(90(112-3)115-69)124-87(109)66-47-29-12-30-48-66/h4-48,67-78,88-90H,49-57H2,1-3H3,(H2,94,97,125)(H2,95,98,126)(H2,96,99,127)/t67-,68-,69-,70-,71-,72-,73+,74+,75+,76+,77+,78+,88+,89+,90+/m0/s1 |
| InChIKey | MNRLKPLPDDIDFE-WOJCJKSISA-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 | 1788.974 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWPA518 |