![Acetic acid, 5-cyano-10-formyl-13-methyl-3-oxohexadecahydrocyclopenta[a]phenanthren-17-yl ester](/api/spectrum/6m6XiMrz4Cd/structure.png?h=300&w=458 "Acetic acid, 5-cyano-10-formyl-13-methyl-3-oxohexadecahydrocyclopenta[a]phenanthren-17-yl ester")
| SpectraBase Compound ID | 1nBL4pJEAOX |
|---|---|
| InChI | InChI=1S/C22H29NO4/c1-14(25)27-19-4-3-17-16-6-9-21(12-23)11-15(26)5-10-22(21,13-24)18(16)7-8-20(17,19)2/h13,16-19H,3-11H2,1-2H3 |
| InChIKey | TWHOHNWLJKZPBE-UHFFFAOYSA-N |
| Mol Weight | 371.48 g/mol |
| Molecular Formula | C22H29NO4 |
| Exact Mass | 371.209658 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 6m6XiMrz4Cd |
|---|---|
| Name | Acetic acid, 5-cyano-10-formyl-13-methyl-3-oxohexadecahydrocyclopenta[a]phenanthren-17-yl ester |
| Alternate Name(s) | (5-cyano-10-formyl-13-methyl-3-oxo-2,4,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl) acetate (5-cyano-10-methanoyl-13-methyl-3-oxidanylidene-2,4,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl) ethanoate 5-Cyano-3,19-dioxoandrostan-17-yl acetate Acetic acid (5-cyano-10-formyl-13-methyl-3-oxo-2,4,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl) ester Acetic acid (5-cyano-10-formyl-3-keto-13-methyl-2,4,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl) ester |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C22H29NO4 |
| InChI | InChI=1S/C22H29NO4/c1-14(25)27-19-4-3-17-16-6-9-21(12-23)11-15(26)5-10-22(21,13-24)18(16)7-8-20(17,19)2/h13,16-19H,3-11H2,1-2H3 |
| InChIKey | TWHOHNWLJKZPBE-UHFFFAOYSA-N |
| Molecular Weight | 371.477 g/mol |
| SMILES | C(#N)C12CC(=O)CCC2(C2C(CC1)C1C(CC2)(C)C(CC1)OC(=O)C)C=O |
| SPLASH | splash10-0006-7931000000-bef1ebd985be65430a24 |
| Wiley ID | 1479975 |