| SpectraBase Compound ID | uYoQ0h0pTp |
|---|---|
| InChI | InChI=1S/C21H31NO3/c1-14(24)25-16-6-10-21(3)15(12-16)4-5-17-18(8-11-23)20(2,13-22)9-7-19(17)21/h11,15-19H,4-10,12H2,1-3H3 |
| InChIKey | YMUJWIKPKPPJJC-UHFFFAOYSA-N |
| Mol Weight | 345.48 g/mol |
| Molecular Formula | C21H31NO3 |
| Exact Mass | 345.230394 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 5Uo0r0ndth3 |
|---|---|
| Name | 7-Cyano-4a,7-dimethyl-8-(2-oxoethyl)tetradecahydro-2-phenanthrenyl acetate |
| CAS Registry Number | 76389-51-0 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C21H31NO3 |
| InChI | InChI=1S/C21H31NO3/c1-14(24)25-16-6-10-21(3)15(12-16)4-5-17-18(8-11-23)20(2,13-22)9-7-19(17)21/h11,15-19H,4-10,12H2,1-3H3 |
| InChIKey | YMUJWIKPKPPJJC-UHFFFAOYSA-N |
| Molecular Weight | 345.483 g/mol |
| SMILES | CC12C3CCC(C)(C#N)C(C3CCC1CC(OC(C)=O)CC2)CC=O |
| SPLASH | splash10-0006-7960000000-6b3889585baf80055316 |
| Synonyms | Phenanthrene-1-acetaldehyde, 7-acetoxy-2.beta.-cyano-2,4b-dimethyl- Acetic acid [7-cyano-4a,7-dimethyl-8-(2-oxoethyl)-1,2,3,4,4b,5,6,8,8a,9,10,10a-dodecahydrophenanthren-2-yl] ester [7-cyano-4a,7-dimethyl-8-(2-oxoethyl)-1,2,3,4,4b,5,6,8,8a,9,10,10a-dodecahydrophenanthren-2-yl] acetate [7-cyano-4a,7-dimethyl-8-(2-oxidanylideneethyl)-1,2,3,4,4b,5,6,8,8a,9,10,10a-dodecahydrophenanthren-2-yl] ethanoate |
| Wiley ID | 1479303 |