![ETHYL-11,11-DIMETHYL-2,10-DIOXO-20-OXA-9,19-DIAZAPENTACYCLO-[10.7.1.0(1,9).0(3,8).0(13,18)]-EICOSA-3,5,7,13,15,17-HEXAENE-12-CARBOXYLATE](/api/spectrum/71WKqwS7xkA/structure.png?h=300&w=458 "ETHYL-11,11-DIMETHYL-2,10-DIOXO-20-OXA-9,19-DIAZAPENTACYCLO-[10.7.1.0(1,9).0(3,8).0(13,18)]-EICOSA-3,5,7,13,15,17-HEXAENE-12-CARBOXYLATE")
| SpectraBase Compound ID | 2qfKVjVzD1T |
|---|---|
| InChI | InChI=1S/C22H20N2O5/c1-4-28-19(27)21-14-10-6-7-11-15(14)23-22(29-21)17(25)13-9-5-8-12-16(13)24(22)18(26)20(21,2)3/h5-12,23H,4H2,1-3H3 |
| InChIKey | UATNGCSNBWTHFX-UHFFFAOYSA-N |
| Mol Weight | 392.41 g/mol |
| Molecular Formula | C22H20N2O5 |
| Exact Mass | 392.137222 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 71WKqwS7xkA |
|---|---|
| Name | 13H-5,13a-Epoxyindolo[2,1-b][1,3]benzodiazocine-5(14H)-carboxylic acid, 6,7-dihydro-6,6-dimethyl-7,13-dioxo-, ethyl ester |
| CAS Registry Number | 116070-46-3 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C22H20N2O5 |
| InChI | InChI=1S/C22H20N2O5/c1-4-28-19(27)21-14-10-6-7-11-15(14)23-22(29-21)17(25)13-9-5-8-12-16(13)24(22)18(26)20(21,2)3/h5-12,23H,4H2,1-3H3 |
| InChIKey | UATNGCSNBWTHFX-UHFFFAOYSA-N |
| Molecular Weight | 392.411 g/mol |
| SMILES | N1c2c(C3(C(C(N4C1(O3)C(c1ccccc41)=O)=O)(C)C)C(=O)OCC)cccc2 |
| SPLASH | splash10-0002-0591000000-b336ffcd6c7a16227150 |
| Source of Spectrum | B-40-1975-5 |
| Synonyms | Ethyl 11,11-dimethyl-2,10-dioxo-20-oxa-9,19-diazapentacyclo[10.7.1.0(1,9).0(3,8).0(13,18)]eicosa-3,5,7,13,15,17-hexaene-12-carboxylate Ethyl 11,11-dimethyl-2,10-dioxo-20-oxa-9,19-diazapentacyclo[10.7.1.0(1,9).0(3,8).0(13,18)]icosa-3,5,7,13,15,17-hexaene-12-carboxylate Ethyl 6,6-dimethyl-7,13-dioxo-5,6,7,14-tetrahydro-13H-5,13a-epoxyindolo[2,1-b][1,3]benzodiazocine-5-carboxylate |
| Wiley ID | 1365813 |