![1,3,5-TRIS-[(2R,3S,4R,5S)-2-CARBONYLAMINO-METHYL-5-METHYLPYRROLIDINE-3,4-DIOL]-BENZENE](/api/spectrum/CJgDdHdkZ3R/structure.png?h=300&w=458 "1,3,5-TRIS-[(2R,3S,4R,5S)-2-CARBONYLAMINO-METHYL-5-METHYLPYRROLIDINE-3,4-DIOL]-BENZENE")
| SpectraBase Compound ID | CsrIoWYjPt2 |
|---|---|
| InChI | InChI=1S/C27H42N6O9/c1-10-19(34)22(37)16(31-10)25(40)28-7-13-4-14(8-29-26(41)17-23(38)20(35)11(2)32-17)6-15(5-13)9-30-27(42)18-24(39)21(36)12(3)33-18/h4-6,10-12,16-24,31-39H,7-9H2,1-3H3,(H,28,40)(H,29,41)(H,30,42)/t10-,11-,12-,16+,17+,18+,19+,20+,21+,22-,23-,24-/m0/s1 |
| InChIKey | CZSIRXQJRCCVAX-VJCQJSIOSA-N |
| Mol Weight | 594.7 g/mol |
| Molecular Formula | C27H42N6O9 |
| Exact Mass | 594.301327 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CJgDdHdkZ3R |
|---|---|
| Name | 1,3,5-TRIS-[(2R,3S,4R,5S)-2-CARBONYLAMINO-METHYL-5-METHYLPYRROLIDINE-3,4-DIOL]-BENZENE |
| Compound Number | 3A |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C27H42N6O9 |
| InChI | InChI=1S/C27H42N6O9/c1-10-19(34)22(37)16(31-10)25(40)28-7-13-4-14(8-29-26(41)17-23(38)20(35)11(2)32-17)6-15(5-13)9-30-27(42)18-24(39)21(36)12(3)33-18/h4-6,10-12,16-24,31-39H,7-9H2,1-3H3,(H,28,40)(H,29,41)(H,30,42)/t10-,11-,12-,16+,17+,18+,19+,20+,21+,22-,23-,24-/m0/s1 |
| InChIKey | CZSIRXQJRCCVAX-VJCQJSIOSA-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 | 594.665 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWBT20556 |