| SpectraBase Compound ID | 7Q0I8Rldtqq |
|---|---|
| InChI | InChI=1S/C23H34O5/c1-13(24)28-12-20(27)18-7-6-17-16-5-4-14-10-15(25)8-9-22(14,2)21(16)19(26)11-23(17,18)3/h14-18,21,25H,4-12H2,1-3H3 |
| InChIKey | QRJOQYLXZPQQMX-UHFFFAOYSA-N |
| Mol Weight | 390.5 g/mol |
| Molecular Formula | C23H34O5 |
| Exact Mass | 390.240624 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | FmcYTUFzPGP |
|---|---|
| Name | 3-Hydroxy-11,20-dioxopregnan-21-yl acetate |
| CAS Registry Number | 23930-37-2 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C23H34O5 |
| InChI | InChI=1S/C23H34O5/c1-13(24)28-12-20(27)18-7-6-17-16-5-4-14-10-15(25)8-9-22(14,2)21(16)19(26)11-23(17,18)3/h14-18,21,25H,4-12H2,1-3H3 |
| InChIKey | QRJOQYLXZPQQMX-UHFFFAOYSA-N |
| Molecular Weight | 390.520 g/mol |
| SMILES | OC1CCC2(C3C(CC4(C(C(COC(C)=O)=O)CCC4C3CCC2C1)C)=O)C |
| SPLASH | splash10-05mp-9545000000-2149d745d01d6ff8999e |
| Source of Spectrum | JZ-1992-1416-0 |
| Synonyms | (3-alpha,5-alpha)-21-(acetyloxy)-3-hydroxypregnane-11,20-dione 3.alpha.,21-Dihydroxy-5.alpha.-pregnane-11,20-dione Alfadolone acetate Alphadolone acetate Pregnane-11,20-dione, 21-(acetyloxy)-3-hydroxy-, (3-alpha,5-alpha)- Pregnane-11,20-dione, 21-(acetyloxy)-3-hydroxy-, (3.alpha.,5.alpha.)- Acetic acid [2-(3-hydroxy-10,13-dimethyl-11-oxo-1,2,3,4,5,6,7,8,9,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl)-2-oxoethyl] ester [2-(3-hydroxy-10,13-dimethyl-11-oxo-1,2,3,4,5,6,7,8,9,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl)-2-oxoethyl] acetate [2-(3-hydroxy-10,13-dimethyl-11-oxo-1,2,3,4,5,6,7,8,9,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl)-2-oxo-ethyl] acetate [2-(10,13-dimethyl-3-oxidanyl-11-oxidanylidene-1,2,3,4,5,6,7,8,9,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl)-2-oxidanylidene-ethyl] ethanoate EINECS 245-942-5 GR 2/1574 |
| Wiley ID | 1364953 |