![(3''R,5''S,1'''S)-DIMETHYL-2-[[5-(1-BENZYLOXYCARBONYLAMINO)-2-METHYLPROPYL]-2-OXOTETRAHYDRO-3-FURANYL]-METHYLMALONATE](/api/spectrum/DEMa380b2Xs/structure.png?h=300&w=458 "(3''R,5''S,1'''S)-DIMETHYL-2-[[5-(1-BENZYLOXYCARBONYLAMINO)-2-METHYLPROPYL]-2-OXOTETRAHYDRO-3-FURANYL]-METHYLMALONATE")
| SpectraBase Compound ID | GljHJLrCRUi |
|---|---|
| InChI | InChI=1S/C22H29NO8/c1-13(2)18(23-22(27)30-12-14-8-6-5-7-9-14)17-11-15(19(24)31-17)10-16(20(25)28-3)21(26)29-4/h5-9,13,15-18H,10-12H2,1-4H3,(H,23,27)/t15-,17+,18-/m1/s1 |
| InChIKey | ABXQIYWNDUAWNC-BPQIPLTHSA-N |
| Mol Weight | 435.47 g/mol |
| Molecular Formula | C22H29NO8 |
| Exact Mass | 435.189317 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DEMa380b2Xs |
|---|---|
| Name | (3''R,5''S,1'''S)-DIMETHYL-2-[[5-(1-BENZYLOXYCARBONYLAMINO)-2-METHYLPROPYL]-2-OXOTETRAHYDRO-3-FURANYL]-METHYLMALONATE |
| Compound Number | 6B |
| Copyright | Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C22H29NO8 |
| InChI | InChI=1S/C22H29NO8/c1-13(2)18(23-22(27)30-12-14-8-6-5-7-9-14)17-11-15(19(24)31-17)10-16(20(25)28-3)21(26)29-4/h5-9,13,15-18H,10-12H2,1-4H3,(H,23,27)/t15-,17+,18-/m1/s1 |
| InChIKey | ABXQIYWNDUAWNC-BPQIPLTHSA-N |
| Literature Reference Author | S.STEURER,J.PODLECH |
| Literature Reference Citation | ORG.LETTERS,1,481(1999) |
| Literature Reference DOI | 10.1021/ol990672y |
| Molecular Weight | 435.474 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWSI26208 |