| SpectraBase Compound ID | Lx2rGi3MeSX |
|---|---|
| InChI | InChI=1S/C31H39NO4/c1-21(2)25-17-15-22(3)19-28(25)36-29(33)26-20-31(30(34)35-4,24-13-9-6-10-14-24)32-27(26)18-16-23-11-7-5-8-12-23/h5-14,16,18,21-22,25-28,32H,15,17,19-20H2,1-4H3/b18-16+/t22-,25+,26+,27+,28-,31-/m1/s1 |
| InChIKey | BGWCAFPBEMLFCR-YPFDTBDKSA-N |
| Mol Weight | 489.7 g/mol |
| Molecular Formula | C31H39NO4 |
| Exact Mass | 489.287909 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JNSMY9EIi6u |
|---|---|
| Name | (1'R,2'S,5'R)-Menthyl R-2R-methoxycarbonyl-2-phenyl-C-5R-(stryl)pyrrolidine-C-4S-carboxylate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 489.287908736 u |
| Formula | C31H39NO4 |
| InChI | InChI=1S/C31H39NO4/c1-21(2)25-17-15-22(3)19-28(25)36-29(33)26-20-31(30(34)35-4,24-13-9-6-10-14-24)32-27(26)18-16-23-11-7-5-8-12-23/h5-14,16,18,21-22,25-28,32H,15,17,19-20H2,1-4H3/b18-16+/t22-,25+,26+,27+,28-,31-/m1/s1 |
| InChIKey | BGWCAFPBEMLFCR-YPFDTBDKSA-N |
| Molecular Weight | 489.656 g/mol |
| SMILES | [C@]1(N[C@](\C=C\C2=CC=CC=C2)([H])[C@](C1)(C(O[C@]1([C@@](CC[C@](C1)(C)[H])(C(C)C)[H])[H])=O)[H])(C(=O)OC)C1=CC=CC=C1 |