![(2R,3S)-[(1R,2S,5R)-2-ISOPROPYL-5-METHYLCYCLOHEXYL]-2-(4-BROMOPHENYL)-3-(TERT.-BUTOXYCARBONYLAMINO)-TETRAHYDROFURAN-3-CARBOXYLATE](/api/spectrum/ADMdoJ9r0eL/structure.png?h=300&w=458 "(2R,3S)-[(1R,2S,5R)-2-ISOPROPYL-5-METHYLCYCLOHEXYL]-2-(4-BROMOPHENYL)-3-(TERT.-BUTOXYCARBONYLAMINO)-TETRAHYDROFURAN-3-CARBOXYLATE")
| SpectraBase Compound ID | KxIsmpgT2Q7 |
|---|---|
| InChI | InChI=1S/C26H38BrNO5/c1-16(2)20-12-7-17(3)15-21(20)32-23(29)26(28-24(30)33-25(4,5)6)13-14-31-22(26)18-8-10-19(27)11-9-18/h8-11,16-17,20-22H,7,12-15H2,1-6H3,(H,28,30)/t17-,20+,21-,22-,26+/m1/s1 |
| InChIKey | OJJTWGDZDRNKHR-CLSBCZCOSA-N |
| Mol Weight | 524.5 g/mol |
| Molecular Formula | C26H38BrNO5 |
| Exact Mass | 523.193336 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | ADMdoJ9r0eL |
|---|---|
| Name | (2R,3S)-[(1R,2S,5R)-2-ISOPROPYL-5-METHYLCYCLOHEXYL]-2-(4-BROMOPHENYL)-3-(TERT.-BUTOXYCARBONYLAMINO)-TETRAHYDROFURAN-3-CARBOXYLATE |
| Compound Number | 4 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C26H38BrNO5 |
| InChI | InChI=1S/C26H38BrNO5/c1-16(2)20-12-7-17(3)15-21(20)32-23(29)26(28-24(30)33-25(4,5)6)13-14-31-22(26)18-8-10-19(27)11-9-18/h8-11,16-17,20-22H,7,12-15H2,1-6H3,(H,28,30)/t17-,20+,21-,22-,26+/m1/s1 |
| InChIKey | OJJTWGDZDRNKHR-CLSBCZCOSA-N |
| Literature Reference Author | A.GRAUER,B.KOENIG |
| Literature Reference Citation | MOLBANK,M594(2009) |
| Molecular Weight | 524.495 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWLU83061 |