![N1,N3,N5-TRIS-[(2S,3R,4S,5R)-4,5-DIHYDROXY-2-HYDROXYMETHYL-6,6-DIMETHYLTETRAHYDRO-2H-PYRAN-3-YL]-BENZENE-1,3,5-TRICARBOXAMIDE](/api/spectrum/G8ZMehQwik9/structure.png?h=300&w=458 "N1,N3,N5-TRIS-[(2S,3R,4S,5R)-4,5-DIHYDROXY-2-HYDROXYMETHYL-6,6-DIMETHYLTETRAHYDRO-2H-PYRAN-3-YL]-BENZENE-1,3,5-TRICARBOXAMIDE")
| SpectraBase Compound ID | ENwtlGnII32 |
|---|---|
| InChI | InChI=1S/C33H51N3O15/c1-31(2)25(43)22(40)19(16(10-37)49-31)34-28(46)13-7-14(29(47)35-20-17(11-38)50-32(3,4)26(44)23(20)41)9-15(8-13)30(48)36-21-18(12-39)51-33(5,6)27(45)24(21)42/h7-9,16-27,37-45H,10-12H2,1-6H3,(H,34,46)(H,35,47)(H,36,48)/t16-,17-,18+,19+,20+,21-,22+,23+,24-,25-,26-,27+/m0/s1 |
| InChIKey | MWJAFPUSIMLCEM-FUKNDMCLSA-N |
| Mol Weight | 729.8 g/mol |
| Molecular Formula | C33H51N3O15 |
| Exact Mass | 729.332018 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | G8ZMehQwik9 |
|---|---|
| Name | N1,N3,N5-TRIS-[(2S,3R,4S,5R)-4,5-DIHYDROXY-2-HYDROXYMETHYL-6,6-DIMETHYLTETRAHYDRO-2H-PYRAN-3-YL]-BENZENE-1,3,5-TRICARBOXAMIDE |
| Compound Number | 32 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C33H51N3O15 |
| InChI | InChI=1S/C33H51N3O15/c1-31(2)25(43)22(40)19(16(10-37)49-31)34-28(46)13-7-14(29(47)35-20-17(11-38)50-32(3,4)26(44)23(20)41)9-15(8-13)30(48)36-21-18(12-39)51-33(5,6)27(45)24(21)42/h7-9,16-27,37-45H,10-12H2,1-6H3,(H,34,46)(H,35,47)(H,36,48)/t16-,17-,18+,19+,20+,21-,22+,23+,24-,25-,26-,27+/m0/s1 |
| InChIKey | MWJAFPUSIMLCEM-FUKNDMCLSA-N |
| Literature Reference Author | F.PFRENGLE,H.U.REISSIG |
| Literature Reference Citation | BEIL.J.ORG.CHEM.,6,75,1(2010) |
| Molecular Weight | 729.779 g/mol |
| Solvent | D2O |
| Source File Reference | UWBT10096 |