| SpectraBase Compound ID | HINGL5HX3w6 |
|---|---|
| InChI | InChI=1S/C20H25NO2/c1-19-8-7-17-15(16(19)4-5-18(19)23)3-2-13-12-14(22)6-9-20(13,17)10-11-21/h12,15-17H,2-10H2,1H3/t15-,16-,17-,19-,20+/m0/s1 |
| InChIKey | NRPDZJCSDASOIX-VDWQKOAOSA-N |
| Mol Weight | 311.43 g/mol |
| Molecular Formula | C20H25NO2 |
| Exact Mass | 311.188529 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 3kbofyfObO4 |
|---|---|
| Name | Androst-4-ene-19-carbonitrile, 3,17-dioxo- |
| CAS Registry Number | 82937-92-6 |
| Comments | Less than 3 mono-isotopic peaks |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C20H25NO2 |
| InChI | InChI=1S/C20H25NO2/c1-19-8-7-17-15(16(19)4-5-18(19)23)3-2-13-12-14(22)6-9-20(13,17)10-11-21/h12,15-17H,2-10H2,1H3/t15-,16-,17-,19-,20+/m0/s1 |
| InChIKey | NRPDZJCSDASOIX-VDWQKOAOSA-N |
| Molecular Weight | 311.425 g/mol |
| SMILES | [C@@]12(C(=CC(CC2)=O)CC[C@]2([C@@]3(CCC([C@]3(CC[C@]12[H])C)=O)[H])[H])CC#N |
| SPLASH | splash10-03dj-0509000000-7427c291eaccc3798c73 |
| Source of Spectrum | KC-1989-1653-10 |
| Synonyms | 19-Cyanoandrost-4-ene-3,17-dione 2-[(1S,2S,10R,11S,15S)-15-methyl-5,14-dioxotetracyclo[8.7.0.0(2,7).0(11,15)]heptadec-6-en-2-yl]acetonitrile 2-[(8R,9S,10S,13S,14S)-13-methyl-3,17-dioxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-10-yl]acetonitrile 2-[(8R,9S,10S,13S,14S)-13-methyl-3,17-bis(oxidanylidene)-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-10-yl]ethanenitrile |
| Wiley ID | 1312652 |