| SpectraBase Compound ID | IJnE5KJZn06 |
|---|---|
| InChI | InChI=1S/C22H33NO4/c1-14(24)26-17-7-10-21(3)16(13-17)5-6-18-19(21)8-11-22(4,27-15(2)25)20(18)9-12-23/h16-20H,5-11,13H2,1-4H3 |
| InChIKey | KYQXZUDJQASEAP-UHFFFAOYSA-N |
| Mol Weight | 375.5 g/mol |
| Molecular Formula | C22H33NO4 |
| Exact Mass | 375.240959 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 3kxjvykvG1E |
|---|---|
| Name | Acetic acid, 7-acetoxy-8-cyanomethyl-4a,7-dimethyl-tetradecahydrophenanthren-2-yl ester |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C22H33NO4 |
| InChI | InChI=1S/C22H33NO4/c1-14(24)26-17-7-10-21(3)16(13-17)5-6-18-19(21)8-11-22(4,27-15(2)25)20(18)9-12-23/h16-20H,5-11,13H2,1-4H3 |
| InChIKey | KYQXZUDJQASEAP-UHFFFAOYSA-N |
| Molecular Weight | 375.509 g/mol |
| SMILES | CC(OC1CC2CCC3C(C2(CC1)C)CCC(C3CC#N)(OC(=O)C)C)=O |
| SPLASH | splash10-0a4l-7960000000-a191de71c90e43594e57 |
| Synonyms | 7-(Acetyloxy)-8-(cyanomethyl)-4a,7-dimethyltetradecahydro-2-phenanthrenyl acetate Acetic acid [7-acetyloxy-8-(cyanomethyl)-4a,7-dimethyl-1,2,3,4,4b,5,6,8,8a,9,10,10a-dodecahydrophenanthren-2-yl] ester [7-acetyloxy-8-(cyanomethyl)-4a,7-dimethyl-1,2,3,4,4b,5,6,8,8a,9,10,10a-dodecahydrophenanthren-2-yl] acetate [7-acetoxy-8-(cyanomethyl)-4a,7-dimethyl-1,2,3,4,4b,5,6,8,8a,9,10,10a-dodecahydrophenanthren-2-yl] acetate [7-acetyloxy-8-(cyanomethyl)-4a,7-dimethyl-1,2,3,4,4b,5,6,8,8a,9,10,10a-dodecahydrophenanthren-2-yl] ethanoate |
| Wiley ID | 1480413 |