| SpectraBase Compound ID | AtRFNNMZe6Q |
|---|---|
| InChI | InChI=1S/C18H20O3/c1-18-9-15(20)17-12-5-3-11(19)8-10(12)2-4-13(17)14(18)6-7-16(18)21/h3,5,8,13-14,17,19H,2,4,6-7,9H2,1H3 |
| InChIKey | WKUQOYYYFVBROI-UHFFFAOYSA-N |
| Mol Weight | 284.35 g/mol |
| Molecular Formula | C18H20O3 |
| Exact Mass | 284.141245 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | GPoph8Z7h2h |
|---|---|
| Name | Estra-1,3,5(10)-triene-11,17-dione, 3-hydroxy-, (9.beta.)- |
| CAS Registry Number | 17391-44-5 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C18H20O3 |
| InChI | InChI=1S/C18H20O3/c1-18-9-15(20)17-12-5-3-11(19)8-10(12)2-4-13(17)14(18)6-7-16(18)21/h3,5,8,13-14,17,19H,2,4,6-7,9H2,1H3 |
| InChIKey | WKUQOYYYFVBROI-UHFFFAOYSA-N |
| Molecular Weight | 284.355 g/mol |
| SMILES | Oc1ccc2c(c1)CCC1C3CCC(C3(C)CC(C21)=O)=O |
| SPLASH | splash10-0005-1940000000-60cd238c80b9f4b3f42f |
| Source of Spectrum | DE-0-29-0 |
| Synonyms | 3-Hydroxyestra-1,3,5(10)-triene-11,17-dione 13-Methyl-3-oxidanyl-6,7,8,9,12,14,15,16-octahydrocyclopenta[a]phenanthrene-11,17-dione 3-Hydroxy-13-methyl-6,7,8,9,12,14,15,16-octahydrocyclopenta[a]phenanthrene-11,17-dione 3-Hydroxy-13-methyl-6,7,8,9,12,14,15,16-octahydrocyclopenta[a]phenanthrene-11,17-quinone |
| Wiley ID | 41727 |