| SpectraBase Compound ID | G7KhchBEmnK |
|---|---|
| InChI | InChI=1S/C21H26O3/c1-12(22)16-6-7-17-15-5-4-13-10-14(23)8-9-20(13,2)19(15)18(24)11-21(16,17)3/h8-10,15-17,19H,4-7,11H2,1-3H3 |
| InChIKey | YZZVVLUNOZJXCM-UHFFFAOYSA-N |
| Mol Weight | 326.44 g/mol |
| Molecular Formula | C21H26O3 |
| Exact Mass | 326.188195 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 2SsD5vMJDzv |
|---|---|
| Name | Pregna-1,4-diene-3,11,20-trione |
| Alternate Name(s) | 17-acetyl-10,13-dimethyl-7,8,9,12,14,15,16,17-octahydro-6H-cyclopenta[a]phenanthrene-3,11-dione 17-acetyl-10,13-dimethyl-7,8,9,12,14,15,16,17-octahydro-6H-cyclopenta[a]phenanthrene-3,11-quinone 17-ethanoyl-10,13-dimethyl-7,8,9,12,14,15,16,17-octahydro-6H-cyclopenta[a]phenanthrene-3,11-dione |
| CAS Registry Number | 4368-11-0 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C21H26O3 |
| InChI | InChI=1S/C21H26O3/c1-12(22)16-6-7-17-15-5-4-13-10-14(23)8-9-20(13,2)19(15)18(24)11-21(16,17)3/h8-10,15-17,19H,4-7,11H2,1-3H3 |
| InChIKey | YZZVVLUNOZJXCM-UHFFFAOYSA-N |
| Molecular Weight | 326.436 g/mol |
| SMILES | CC12C3C(C4C(C)(C(C(C)=O)CC4)CC3=O)CCC1=CC(=O)C=C2 |
| SPLASH | splash10-0006-4931000000-562316bd70dbd858c0aa |
| Source of Spectrum | EP-1326-0-0 |
| Wiley ID | 1325081 |