| SpectraBase Compound ID | 1os8Un4scUP |
|---|---|
| InChI | InChI=1S/C23H30N2O5/c1-29-22-21(27)19(30-23(28)14-6-3-2-4-7-14)11-18-16-10-15(13-25(18)22)17-8-5-9-20(26)24(17)12-16/h2-4,6-7,15-19,21-22,27H,5,8-13H2,1H3/t15-,16-,17+,18+,19-,21?,22?/m0/s1 |
| InChIKey | LYCFCSTULBOYAC-KAJFHJIXSA-N |
| Mol Weight | 414.5 g/mol |
| Molecular Formula | C23H30N2O5 |
| Exact Mass | 414.215472 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 5UaRbtgYJLr |
|---|---|
| Name | Isocinevanine |
| Copyright | Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C23H30N2O5 |
| InChI | InChI=1S/C23H30N2O5/c1-29-22-21(27)19(30-23(28)14-6-3-2-4-7-14)11-18-16-10-15(13-25(18)22)17-8-5-9-20(26)24(17)12-16/h2-4,6-7,15-19,21-22,27H,5,8-13H2,1H3/t15-,16-,17+,18+,19-,21?,22?/m0/s1 |
| InChIKey | LYCFCSTULBOYAC-KAJFHJIXSA-N |
| Molecular Weight | 414.502 g/mol |
| SMILES | OC1C(N2[C@@]([C@@]3(CN4[C@@]([C@](C2)(C3)[H])(CCCC4=O)[H])[H])(C[C@@]1(OC(=O)c1ccccc1)[H])[H])OC |
| SPLASH | splash10-0002-5490000000-bfcd0e598a51281bef41 |
| Source of Spectrum | CD-236-0-0 |
| Synonyms | (4alpha,6alpha)-3-hydroxy-2-methoxy-15-oxospartein-4-yl benzoate |
| Wiley ID | 1375431 |