![(2S,3R)-3-endo-[1-(1-Methoxycrbonylethylcarbamoyl)-2-phenylethylcarbomoyl]bicyclo[2.2.1]hept-5-ene-2-endo-carboxylic acid benzyl ester](/api/spectrum/CXfTFzAySwo/structure.png?h=300&w=458 "(2S,3R)-3-endo-[1-(1-Methoxycrbonylethylcarbamoyl)-2-phenylethylcarbomoyl]bicyclo[2.2.1]hept-5-ene-2-endo-carboxylic acid benzyl ester")
| SpectraBase Compound ID | JraMRGCyqq6 |
|---|---|
| InChI | InChI=1S/C29H32N2O6/c1-36-24(32)14-15-30-27(33)23(16-19-8-4-2-5-9-19)31-28(34)25-21-12-13-22(17-21)26(25)29(35)37-18-20-10-6-3-7-11-20/h2-13,21-23,25-26H,14-18H2,1H3,(H,30,33)(H,31,34)/t21-,22+,23?,25+,26-/m0/s1 |
| InChIKey | KTKKOQXWXMTXFA-WBIVBMPISA-N |
| Mol Weight | 504.6 g/mol |
| Molecular Formula | C29H32N2O6 |
| Exact Mass | 504.226037 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | CXfTFzAySwo |
|---|---|
| Name | (2S,3R)-3-endo-[1-(1-Methoxycrbonylethylcarbamoyl)-2-phenylethylcarbomoyl]bicyclo[2.2.1]hept-5-ene-2-endo-carboxylic acid benzyl ester |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C29H32N2O6 |
| InChI | InChI=1S/C29H32N2O6/c1-36-24(32)14-15-30-27(33)23(16-19-8-4-2-5-9-19)31-28(34)25-21-12-13-22(17-21)26(25)29(35)37-18-20-10-6-3-7-11-20/h2-13,21-23,25-26H,14-18H2,1H3,(H,30,33)(H,31,34)/t21-,22+,23?,25+,26-/m0/s1 |
| InChIKey | KTKKOQXWXMTXFA-WBIVBMPISA-N |
| Molecular Weight | 504.583 g/mol |
| SMILES | N(C([C@@]1([C@]2(C=C[C@@]([C@@]1(C(OCc1ccccc1)=O)[H])(C2)[H])[H])[H])=O)C(C(=O)NCCC(=O)OC)Cc1ccccc1 |
| SPLASH | splash10-0006-9223020000-faa6898a5c2c9c456383 |
| Source of Spectrum | F-69-743-11 |
| Wiley ID | 1594586 |