| SpectraBase Compound ID | 8yKCw9130Ed |
|---|---|
| InChI | InChI=1S/C33H39NO4/c1-21(2)27-17-14-22(3)18-29(27)38-31(35)28-20-33(32(36)37-4,26-12-6-5-7-13-26)34-30(28)25-16-15-23-10-8-9-11-24(23)19-25/h5-13,15-16,19,21-22,27-30,34H,14,17-18,20H2,1-4H3/t22-,27+,28+,29-,30+,33-/m1/s1 |
| InChIKey | QAXHGTMUFXBVIU-SKKPLJJGSA-N |
| Mol Weight | 513.7 g/mol |
| Molecular Formula | C33H39NO4 |
| Exact Mass | 513.287909 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4xIlD2fuAWn |
|---|---|
| Name | (1'R,2'S,5'R)-Menthyl R-2R-methoxycarbonyl-2-phenyl-C-5R-(2'-naphthyl)pyrrolidine-C-4S-carboxylate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 513.287908736 u |
| Formula | C33H39NO4 |
| InChI | InChI=1S/C33H39NO4/c1-21(2)27-17-14-22(3)18-29(27)38-31(35)28-20-33(32(36)37-4,26-12-6-5-7-13-26)34-30(28)25-16-15-23-10-8-9-11-24(23)19-25/h5-13,15-16,19,21-22,27-30,34H,14,17-18,20H2,1-4H3/t22-,27+,28+,29-,30+,33-/m1/s1 |
| InChIKey | QAXHGTMUFXBVIU-SKKPLJJGSA-N |
| Molecular Weight | 513.678 g/mol |
| SMILES | [C@]1(N[C@](C=2C=C3C=CC=CC3=CC2)([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 |