| SpectraBase Compound ID | H5X5EDR7oSG |
|---|---|
| InChI | InChI=1S/C22H28O4/c1-14(23)26-16-4-6-17-15(13-16)3-5-19-18(17)7-9-21(2)20(19)8-10-22(21)24-11-12-25-22/h4,6,13,18-20H,3,5,7-12H2,1-2H3 |
| InChIKey | OJRADRUMJUVRPG-UHFFFAOYSA-N |
| Mol Weight | 356.46 g/mol |
| Molecular Formula | C22H28O4 |
| Exact Mass | 356.198759 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | KM0f3cHm3IX |
|---|---|
| Name | Estra-1,3,5(10)-trien-17-one, 3-(acetyloxy)-, cyclic 1,2-ethanediyl acetal |
| CAS Registry Number | 27736-68-1 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C22H28O4 |
| InChI | InChI=1S/C22H28O4/c1-14(23)26-16-4-6-17-15(13-16)3-5-19-18(17)7-9-21(2)20(19)8-10-22(21)24-11-12-25-22/h4,6,13,18-20H,3,5,7-12H2,1-2H3 |
| InChIKey | OJRADRUMJUVRPG-UHFFFAOYSA-N |
| Molecular Weight | 356.462 g/mol |
| SMILES | CC(=O)Oc1ccc2c(c1)CCC1C2CCC2(C)C1CCC21OCCO1 |
| SPLASH | splash10-0002-9320000000-6326f298716207db1815 |
| Source of Spectrum | O-3-786-7 |
| Synonyms | (13'-methylspiro[1,3-dioxolane-2,17'-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene]-3'-yl) acetate (13'-methylspiro[1,3-dioxolane-2,17'-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene]-3'-yl) ethanoate Acetic acid (13'-methyl-3'-spiro[1,3-dioxolane-2,17'-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene]yl) ester Acetic acid (13'-methylspiro[1,3-dioxolane-2,17'-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene]-3'-yl) ester Estrone, cyclic ethylene acetal, acetate |
| Wiley ID | 52759 |