![#25;3,4,6-TRI-O-ACETYL-2-O-[4,6-DI-O-ACETYL-3-O-(2,3,4,6-TETRA-O-ACETYL-ALPHA-D-MANNOPYRANOSYL)-2-O-BENZOYL-ALPHA-D-MANNOPYRANOSYL]-1-O-TRICHLOROACETIMI](/api/spectrum/KKJ5S91QQmA/structure.png?h=300&w=458 "#25;3,4,6-TRI-O-ACETYL-2-O-[4,6-DI-O-ACETYL-3-O-(2,3,4,6-TETRA-O-ACETYL-ALPHA-D-MANNOPYRANOSYL)-2-O-BENZOYL-ALPHA-D-MANNOPYRANOSYL]-1-O-TRICHLOROACETIMI")
| SpectraBase Compound ID | EtiV0Ejd2LC |
|---|---|
| InChI | InChI=1S/C45H54Cl3NO26/c1-18(50)60-15-28-31(63-21(4)53)34(66-24(7)56)37(68-26(9)58)41(69-28)73-36-33(65-23(6)55)30(17-62-20(3)52)70-42(38(36)72-40(59)27-13-11-10-12-14-27)74-39-35(67-25(8)57)32(64-22(5)54)29(16-61-19(2)51)71-43(39)75-44(49)45(46,47)48/h10-14,28-39,41-43,49H,15-17H2,1-9H3/t28-,29-,30-,31-,32-,33-,34+,35+,36+,37+,38+,39+,41-,42-,43-/m1/s1 |
| InChIKey | WHRLBNDSONVTPP-MFKZETJKSA-N |
| Mol Weight | 1131.3 g/mol |
| Molecular Formula | C45H54Cl3NO26 |
| Exact Mass | 1129.199964 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KKJ5S91QQmA |
|---|---|
| Name | #25;3,4,6-TRI-O-ACETYL-2-O-[4,6-DI-O-ACETYL-3-O-(2,3,4,6-TETRA-O-ACETYL-ALPHA-D-MANNOPYRANOSYL)-2-O-BENZOYL-ALPHA-D-MANNOPYRANOSYL]-1-O-TRICHLOROACETIMI |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C45H54Cl3NO26 |
| InChI | InChI=1S/C45H54Cl3NO26/c1-18(50)60-15-28-31(63-21(4)53)34(66-24(7)56)37(68-26(9)58)41(69-28)73-36-33(65-23(6)55)30(17-62-20(3)52)70-42(38(36)72-40(59)27-13-11-10-12-14-27)74-39-35(67-25(8)57)32(64-22(5)54)29(16-61-19(2)51)71-43(39)75-44(49)45(46,47)48/h10-14,28-39,41-43,49H,15-17H2,1-9H3/t28-,29-,30-,31-,32-,33-,34+,35+,36+,37+,38+,39+,41-,42-,43-/m1/s1 |
| InChIKey | WHRLBNDSONVTPP-MFKZETJKSA-N |
| Literature Reference Author | C.CARPENTER,S.A.NEPOGODIEV |
| Literature Reference Citation | EUR.J.ORG.CHEM.,3286(2005) |
| Molecular Weight | 1131.274 g/mol |
| Sample ID | 30065 |
| Solvent | D2O |