![TRIS-[2-[3'-(2'',3'',4''-TRI-O-ACETYL-6''-DEOXY-6''-ISOTHIOCYANATO-ALPHA-D-MANNOPYRANOSYL)-THIOUREIDO]-ETHYL]-AMINE](/api/spectrum/FFjYGKWgQ8N/structure.png?h=300&w=458 "TRIS-[2-[3'-(2'',3'',4''-TRI-O-ACETYL-6''-DEOXY-6''-ISOTHIOCYANATO-ALPHA-D-MANNOPYRANOSYL)-THIOUREIDO]-ETHYL]-AMINE")
| SpectraBase Compound ID | EFNuLtMz0Pz |
|---|---|
| InChI | InChI=1S/C48H66N10O21S6/c1-22(59)68-34-31(16-49-19-80)77-43(40(74-28(7)65)37(34)71-25(4)62)55-46(83)52-10-13-58(14-11-53-47(84)56-44-41(75-29(8)66)38(72-26(5)63)35(69-23(2)60)32(78-44)17-50-20-81)15-12-54-48(85)57-45-42(76-30(9)67)39(73-27(6)64)36(70-24(3)61)33(79-45)18-51-21-82/h31-45H,10-18H2,1-9H3,(H2,52,55,83)(H2,53,56,84)(H2,54,57,85)/t31-,32-,33+,34-,35-,36+,37+,38+,39-,40+,41+,42-,43+,44+,45-/m1/s1 |
| InChIKey | YHPNAJXAIOPREN-ZYUHEUSNSA-N |
| Mol Weight | 1311.5 g/mol |
| Molecular Formula | C48H66N10O21S6 |
| Exact Mass | 1310.272826 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FFjYGKWgQ8N |
|---|---|
| Name | TRIS-[2-[3'-(2'',3'',4''-TRI-O-ACETYL-6''-DEOXY-6''-ISOTHIOCYANATO-ALPHA-D-MANNOPYRANOSYL)-THIOUREIDO]-ETHYL]-AMINE |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C48H66N10O21S6 |
| InChI | InChI=1S/C48H66N10O21S6/c1-22(59)68-34-31(16-49-19-80)77-43(40(74-28(7)65)37(34)71-25(4)62)55-46(83)52-10-13-58(14-11-53-47(84)56-44-41(75-29(8)66)38(72-26(5)63)35(69-23(2)60)32(78-44)17-50-20-81)15-12-54-48(85)57-45-42(76-30(9)67)39(73-27(6)64)36(70-24(3)61)33(79-45)18-51-21-82/h31-45H,10-18H2,1-9H3,(H2,52,55,83)(H2,53,56,84)(H2,54,57,85)/t31-,32-,33+,34-,35-,36+,37+,38+,39-,40+,41+,42-,43+,44+,45-/m1/s1 |
| InChIKey | YHPNAJXAIOPREN-ZYUHEUSNSA-N |
| Literature Reference Author | M.WALTER,M.WIEGAND,T.K.LINDHORST |
| Literature Reference Citation | EUR.J.ORG.CHEM.,719(2006) |
| Molecular Weight | 1311.466 g/mol |
| Sample ID | 43185 |
| Solvent | ACETONE-D6 |