| SpectraBase Compound ID | L3KneZ5kBZ4 |
|---|---|
| InChI | InChI=1S/C23H36O4/c1-14(24)23(26)12-9-20-18-6-5-16-13-17(27-15(2)25)7-10-21(16,3)19(18)8-11-22(20,23)4/h16-20,26H,5-13H2,1-4H3 |
| InChIKey | TVQDBRRFOFGWDS-UHFFFAOYSA-N |
| Mol Weight | 376.5 g/mol |
| Molecular Formula | C23H36O4 |
| Exact Mass | 376.26136 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 3TosmjdDZw |
|---|---|
| Name | Pregnan-20-one, 3-(acetyloxy)-17-hydroxy-, (3.beta.,5.alpha.)- |
| CAS Registry Number | 5456-44-0 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C23H36O4 |
| InChI | InChI=1S/C23H36O4/c1-14(24)23(26)12-9-20-18-6-5-16-13-17(27-15(2)25)7-10-21(16,3)19(18)8-11-22(20,23)4/h16-20,26H,5-13H2,1-4H3 |
| InChIKey | TVQDBRRFOFGWDS-UHFFFAOYSA-N |
| Molecular Weight | 376.537 g/mol |
| SMILES | OC1(CCC2C1(C)CCC1C2CCC2C1(C)CCC(C2)OC(C)=O)C(C)=O |
| SPLASH | splash10-0a4l-8951000000-a5f8a06506bae29eab95 |
| Source of Spectrum | A-0-0-256 |
| Synonyms | 17-Hydroxy-20-oxopregnan-3-yl acetate (17-acetyl-17-hydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-3-yl) acetate (17-ethanoyl-10,13-dimethyl-17-oxidanyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-3-yl) ethanoate 3.beta.,17.alpha.-Dihydroxy-5.alpha.-pregnan-20-one 3-acetate 5.alpha.-Pregnan-20-one, 3.beta.,17-dihydroxy-, 3-acetate Acetic acid (17-acetyl-17-hydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-3-yl) ester Pregnan-20-one, 3-(acetyloxy)-17-hydroxy-, (3beta,5alpha)- |
| Wiley ID | 1357951 |