| SpectraBase Compound ID | ASoROttnXtX |
|---|---|
| InChI | InChI=1S/C21H30O4/c1-11(22)18-16(24)9-15-14-5-4-12-8-13(23)6-7-20(12,2)19(14)17(25)10-21(15,18)3/h8,14-19,24-25H,4-7,9-10H2,1-3H3 |
| InChIKey | KTOPCTSOJVGFJS-UHFFFAOYSA-N |
| Mol Weight | 346.47 g/mol |
| Molecular Formula | C21H30O4 |
| Exact Mass | 346.214409 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | B3x0csdt7tQ |
|---|---|
| Name | Pregn-4-ene-3,20-dione, 11,16-dihydroxy-, (11.alpha.,16.alpha.)- |
| CAS Registry Number | 55622-61-2 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C21H30O4 |
| InChI | InChI=1S/C21H30O4/c1-11(22)18-16(24)9-15-14-5-4-12-8-13(23)6-7-20(12,2)19(14)17(25)10-21(15,18)3/h8,14-19,24-25H,4-7,9-10H2,1-3H3 |
| InChIKey | KTOPCTSOJVGFJS-UHFFFAOYSA-N |
| Molecular Weight | 346.467 g/mol |
| SMILES | OC1C2C(C3C(C(C(C3)O)C(=O)C)(C1)C)CCC1=CC(CCC21C)=O |
| SPLASH | splash10-00dj-5931000000-38bd5e333581dc299269 |
| Source of Spectrum | T-66-2068-0 |
| Synonyms | 11,16-Dihydroxypregn-4-ene-3,20-dione 11(alpha),16(alpha)-Dihydroxyprogesterone 17-acetyl-11,16-dihydroxy-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one 17-ethanoyl-10,13-dimethyl-11,16-bis(oxidanyl)-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one |
| Wiley ID | 1339471 |