![TRIS-[2-[3-(2',3',4'-TRI-O-ACETYL-6'-DEOXY-1'-O-METHYL-ALPHA-D-MANNOPYRANOS-6'-YL)-THIOUREIDO]-ETHYL]-AMINE](/api/spectrum/CMenlNY4IE/structure.png?h=300&w=458 "TRIS-[2-[3-(2',3',4'-TRI-O-ACETYL-6'-DEOXY-1'-O-METHYL-ALPHA-D-MANNOPYRANOS-6'-YL)-THIOUREIDO]-ETHYL]-AMINE")
| SpectraBase Compound ID | GcbTk8xJAKt |
|---|---|
| InChI | InChI=1S/C48H75N7O24S3/c1-22(56)68-34-31(77-43(65-10)40(74-28(7)62)37(34)71-25(4)59)19-52-46(80)49-13-16-55(17-14-50-47(81)53-20-32-35(69-23(2)57)38(72-26(5)60)41(75-29(8)63)44(66-11)78-32)18-15-51-48(82)54-21-33-36(70-24(3)58)39(73-27(6)61)42(76-30(9)64)45(67-12)79-33/h31-45H,13-21H2,1-12H3,(H2,49,52,80)(H2,50,53,81)(H2,51,54,82)/t31-,32-,33+,34-,35-,36+,37+,38+,39-,40+,41+,42-,43+,44+,45-/m0/s1 |
| InChIKey | ZTKRFLBZVPOWNP-ZXRAKRHDSA-N |
| Mol Weight | 1230.3 g/mol |
| Molecular Formula | C48H75N7O24S3 |
| Exact Mass | 1229.40256 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CMenlNY4IE |
|---|---|
| Name | TRIS-[2-[3-(2',3',4'-TRI-O-ACETYL-6'-DEOXY-1'-O-METHYL-ALPHA-D-MANNOPYRANOS-6'-YL)-THIOUREIDO]-ETHYL]-AMINE |
| Compound Number | 22 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C48H75N7O24S3 |
| InChI | InChI=1S/C48H75N7O24S3/c1-22(56)68-34-31(77-43(65-10)40(74-28(7)62)37(34)71-25(4)59)19-52-46(80)49-13-16-55(17-14-50-47(81)53-20-32-35(69-23(2)57)38(72-26(5)60)41(75-29(8)63)44(66-11)78-32)18-15-51-48(82)54-21-33-36(70-24(3)58)39(73-27(6)61)42(76-30(9)64)45(67-12)79-33/h31-45H,13-21H2,1-12H3,(H2,49,52,80)(H2,50,53,81)(H2,51,54,82)/t31-,32-,33+,34-,35-,36+,37+,38+,39-,40+,41+,42-,43+,44+,45-/m0/s1 |
| InChIKey | ZTKRFLBZVPOWNP-ZXRAKRHDSA-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 | 1230.336 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWPA519 |