![1R,2S,5R-Menthyl 2-(3'-indolylmethyl)-r-2R-methoxycarbonyl-c-5S-[1''-[1''-ethoxycarbonyl-2'''-oxocyclohexyl)ethyl]pyrrolidine-c-4S-carboxylate](/api/spectrum/7fwqa7tgCVe/structure.png?h=300&w=458 "1R,2S,5R-Menthyl 2-(3'-indolylmethyl)-r-2R-methoxycarbonyl-c-5S-[1''-[1''-ethoxycarbonyl-2'''-oxocyclohexyl)ethyl]pyrrolidine-c-4S-carboxylate")
| SpectraBase Compound ID | HbgezYYxB4G |
|---|---|
| InChI | InChI=1S/C37H52N2O7/c1-6-45-34(42)36(17-10-9-13-32(36)40)18-16-30-28(33(41)46-31-19-24(4)14-15-26(31)23(2)3)21-37(39-30,35(43)44-5)20-25-22-38-29-12-8-7-11-27(25)29/h7-8,11-12,22-24,26,28,30-31,38-39H,6,9-10,13-21H2,1-5H3/t24-,26+,28+,30+,31-,36?,37+/m1/s1 |
| InChIKey | CWKTVCFDRFLWOT-GOKKSIDLSA-N |
| Mol Weight | 636.8 g/mol |
| Molecular Formula | C37H52N2O7 |
| Exact Mass | 636.377452 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7fwqa7tgCVe |
|---|---|
| Name | 1R,2S,5R-Menthyl 2-(3'-indolylmethyl)-R-2R-methoxycarbonyl-C-5S-[1''-[1''-ethoxycarbonyl-2'''-oxocyclohexyl)ethyl]pyrrolidine-C-4S-carboxylate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 636.377452015 u |
| Formula | C37H52N2O7 |
| InChI | InChI=1S/C37H52N2O7/c1-6-45-34(42)36(17-10-9-13-32(36)40)18-16-30-28(33(41)46-31-19-24(4)14-15-26(31)23(2)3)21-37(39-30,35(43)44-5)20-25-22-38-29-12-8-7-11-27(25)29/h7-8,11-12,22-24,26,28,30-31,38-39H,6,9-10,13-21H2,1-5H3/t24-,26+,28+,30+,31-,36?,37+/m1/s1 |
| InChIKey | CWKTVCFDRFLWOT-GOKKSIDLSA-N |
| Molecular Weight | 636.830 g/mol |
| SMILES | [C@]1(N[C@@](CCC2(C(=O)OCC)C(=O)CCCC2)([C@](C1)(C(O[C@]1([C@@](CC[C@](C1)(C)[H])(C(C)C)[H])[H])=O)[H])[H])(C(=O)OC)CC1=CNC2=C1C=CC=C2 |