![#43;O-[3-O-(METHYL-3-O-BENZYL-2,4-DI-O-PIVALOYL-ALPHA-L-IDOPYRANOSYLURONATE)-2-DEOXY-4,6-DI-O-LEVULINOYL-2-TRIFLUOROACETAMIDO-ALPHA-D-GALACTOPYRANOSYL]-TRICHLO](/api/spectrum/7awV5j70rG9/structure.png?h=300&w=458 "#43;O-[3-O-(METHYL-3-O-BENZYL-2,4-DI-O-PIVALOYL-ALPHA-L-IDOPYRANOSYLURONATE)-2-DEOXY-4,6-DI-O-LEVULINOYL-2-TRIFLUOROACETAMIDO-ALPHA-D-GALACTOPYRANOSYL]-TRICHLO")
| SpectraBase Compound ID | 8q43WfzYVuj |
|---|---|
| InChI | InChI=1S/C44H56Cl3F3N2O18/c1-21(53)15-17-25(55)63-20-24-28(66-26(56)18-16-22(2)54)29(27(51-38(59)44(48,49)50)34(65-24)52-37(58)43(45,46)47)67-36-33(70-40(61)42(6,7)8)30(64-19-23-13-11-10-12-14-23)31(32(68-36)35(57)62-9)69-39(60)41(3,4)5/h10-14,24,27-34,36H,15-20H2,1-9H3,(H,51,59)(H,52,58)/t24-,27-,28+,29-,30+,31+,32-,33-,34+,36-/m1/s1 |
| InChIKey | MDOJKENKKSLEKM-CAWYEDRDSA-N |
| Mol Weight | 1064.3 g/mol |
| Molecular Formula | C44H56Cl3F3N2O18 |
| Exact Mass | 1062.254581 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7awV5j70rG9 |
|---|---|
| Name | #43;O-[3-O-(METHYL-3-O-BENZYL-2,4-DI-O-PIVALOYL-ALPHA-L-IDOPYRANOSYLURONATE)-2-DEOXY-4,6-DI-O-LEVULINOYL-2-TRIFLUOROACETAMIDO-ALPHA-D-GALACTOPYRANOSYL]-TRICHLO |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C44H56Cl3F3N2O18 |
| InChI | InChI=1S/C44H56Cl3F3N2O18/c1-21(53)15-17-25(55)63-20-24-28(66-26(56)18-16-22(2)54)29(27(51-38(59)44(48,49)50)34(65-24)52-37(58)43(45,46)47)67-36-33(70-40(61)42(6,7)8)30(64-19-23-13-11-10-12-14-23)31(32(68-36)35(57)62-9)69-39(60)41(3,4)5/h10-14,24,27-34,36H,15-20H2,1-9H3,(H,51,59)(H,52,58)/t24-,27-,28+,29-,30+,31+,32-,33-,34+,36-/m1/s1 |
| InChIKey | MDOJKENKKSLEKM-CAWYEDRDSA-N |
| Literature Reference Author | G.MACCHIONE,S.MAZA,M.M.KAYSER,J.L.DEPAZ,P.M.NIETO |
| Literature Reference Citation | EUR.J.ORG.CHEM.,2014,3868(2014) |
| Literature Reference DOI | 10.1002/ejoc.201402222 |
| Molecular Weight | 1064.285 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWLU85342 |