![N(1),N(3),N(5)-TRIS-[2-[2-[2-[(2R,3S,4R,5S)-3,4-DIHYDROXY-5-METHYLPYRROLIDINE-2-CARBOXAMIDO]-ETHOXY]-ETHOXY]-ETHYL]-BENZENE-1,3,5-TRICARBOXAMIDE](/api/spectrum/CGhGE4jk04f/structure.png?h=300&w=458 "N(1),N(3),N(5)-TRIS-[2-[2-[2-[(2R,3S,4R,5S)-3,4-DIHYDROXY-5-METHYLPYRROLIDINE-2-CARBOXAMIDO]-ETHOXY]-ETHOXY]-ETHYL]-BENZENE-1,3,5-TRICARBOXAMIDE")
| SpectraBase Compound ID | CDtORrQQGtl |
|---|---|
| InChI | InChI=1S/C45H75N9O18/c1-25-34(55)37(58)31(52-25)43(64)49-7-13-70-19-16-67-10-4-46-40(61)28-22-29(41(62)47-5-11-68-17-20-71-14-8-50-44(65)32-38(59)35(56)26(2)53-32)24-30(23-28)42(63)48-6-12-69-18-21-72-15-9-51-45(66)33-39(60)36(57)27(3)54-33/h22-27,31-39,52-60H,4-21H2,1-3H3,(H,46,61)(H,47,62)(H,48,63)(H,49,64)(H,50,65)(H,51,66)/t25-,26-,27-,31+,32+,33+,34+,35+,36+,37-,38-,39-/m1/s1 |
| InChIKey | NAASFCIBPPUMQS-HQPHOEAWSA-N |
| Mol Weight | 1030.1 g/mol |
| Molecular Formula | C45H75N9O18 |
| Exact Mass | 1029.523007 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CGhGE4jk04f |
|---|---|
| Name | N(1),N(3),N(5)-TRIS-[2-[2-[2-[(2R,3S,4R,5S)-3,4-DIHYDROXY-5-METHYLPYRROLIDINE-2-CARBOXAMIDO]-ETHOXY]-ETHOXY]-ETHYL]-BENZENE-1,3,5-TRICARBOXAMIDE |
| Compound Number | 4 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C45H75N9O18 |
| InChI | InChI=1S/C45H75N9O18/c1-25-34(55)37(58)31(52-25)43(64)49-7-13-70-19-16-67-10-4-46-40(61)28-22-29(41(62)47-5-11-68-17-20-71-14-8-50-44(65)32-38(59)35(56)26(2)53-32)24-30(23-28)42(63)48-6-12-69-18-21-72-15-9-51-45(66)33-39(60)36(57)27(3)54-33/h22-27,31-39,52-60H,4-21H2,1-3H3,(H,46,61)(H,47,62)(H,48,63)(H,49,64)(H,50,65)(H,51,66)/t25-,26-,27-,31+,32+,33+,34+,35+,36+,37-,38-,39-/m1/s1 |
| InChIKey | NAASFCIBPPUMQS-HQPHOEAWSA-N |
| Literature Reference Author | E.MORENO-CLAVIJO,A.T.CARMONA,A.J.MORENO-VARGAS,L.MOLINA,D.W. WRIGHT,G.J.DAVIES |
| Literature Reference Citation | EUR.J.ORG.CHEM.,2013,7328(2013) |
| Literature Reference DOI | 10.1002/ejoc.201300878 |
| Molecular Weight | 1030.140 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWBT20557 |