![N1,N3,N5-TRIS-[(2S,3R,4R)-4-HYDROXY-2-HYDROXYMETHYL-6,6-DIMETHYLTETRAHYDRO-2H-PYRAN-3-YL]-BENZENE-1,3,5-TRICARBOXAMIDE](/api/spectrum/6E071PfBlGD/structure.png?h=300&w=458 "N1,N3,N5-TRIS-[(2S,3R,4R)-4-HYDROXY-2-HYDROXYMETHYL-6,6-DIMETHYLTETRAHYDRO-2H-PYRAN-3-YL]-BENZENE-1,3,5-TRICARBOXAMIDE")
| SpectraBase Compound ID | JEgO140dfyB |
|---|---|
| InChI | InChI=1S/C33H51N3O12/c1-31(2)10-19(40)25(22(13-37)46-31)34-28(43)16-7-17(29(44)35-26-20(41)11-32(3,4)47-23(26)14-38)9-18(8-16)30(45)36-27-21(42)12-33(5,6)48-24(27)15-39/h7-9,19-27,37-42H,10-15H2,1-6H3,(H,34,43)(H,35,44)(H,36,45)/t19-,20-,21+,22-,23-,24+,25-,26-,27+/m1/s1 |
| InChIKey | LFSTZYKNQJEUPS-ROAWWAPISA-N |
| Mol Weight | 681.8 g/mol |
| Molecular Formula | C33H51N3O12 |
| Exact Mass | 681.347274 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6E071PfBlGD |
|---|---|
| Name | N1,N3,N5-TRIS-[(2S,3R,4R)-4-HYDROXY-2-HYDROXYMETHYL-6,6-DIMETHYLTETRAHYDRO-2H-PYRAN-3-YL]-BENZENE-1,3,5-TRICARBOXAMIDE |
| Compound Number | 31 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C33H51N3O12 |
| InChI | InChI=1S/C33H51N3O12/c1-31(2)10-19(40)25(22(13-37)46-31)34-28(43)16-7-17(29(44)35-26-20(41)11-32(3,4)47-23(26)14-38)9-18(8-16)30(45)36-27-21(42)12-33(5,6)48-24(27)15-39/h7-9,19-27,37-42H,10-15H2,1-6H3,(H,34,43)(H,35,44)(H,36,45)/t19-,20-,21+,22-,23-,24+,25-,26-,27+/m1/s1 |
| InChIKey | LFSTZYKNQJEUPS-ROAWWAPISA-N |
| Literature Reference Author | F.PFRENGLE,H.U.REISSIG |
| Literature Reference Citation | BEIL.J.ORG.CHEM.,6,75,1(2010) |
| Molecular Weight | 681.781 g/mol |
| Solvent | DMF-D7 |
| Source File Reference | UWBT10095 |