| SpectraBase Compound ID | DCf3XjBphkF |
|---|---|
| InChI | InChI=1S/C23H36O4/c1-14(24)27-13-21(26)20-7-6-18-17-5-4-15-12-16(25)8-10-22(15,2)19(17)9-11-23(18,20)3/h15-20,25H,4-13H2,1-3H3 |
| InChIKey | LNQFXEKUXJUUMN-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 | KGHjDmyBbNv |
|---|---|
| Name | Pregnan-20-one, 21-(acetyloxy)-3-hydroxy-, (5.alpha.)- |
| CAS Registry Number | 56193-58-9 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C23H36O4 |
| InChI | InChI=1S/C23H36O4/c1-14(24)27-13-21(26)20-7-6-18-17-5-4-15-12-16(25)8-10-22(15,2)19(17)9-11-23(18,20)3/h15-20,25H,4-13H2,1-3H3 |
| InChIKey | LNQFXEKUXJUUMN-UHFFFAOYSA-N |
| Molecular Weight | 376.537 g/mol |
| SMILES | OC1CCC2(C3CCC4(C(C(COC(C)=O)=O)CCC4C3CCC2C1)C)C |
| SPLASH | splash10-0pbc-9842000000-a145a4c9312fb1410f11 |
| Source of Spectrum | EP-1348-0-0 |
| Synonyms | 3-Hydroxy-20-oxopregnan-21-yl acetate Acetic acid [2-(3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)-2-oxoethyl] ester [2-(3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)-2-oxoethyl] acetate [2-(3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)-2-oxo-ethyl] acetate [2-(10,13-dimethyl-3-oxidanyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)-2-oxidanylidene-ethyl] ethanoate |
| Wiley ID | 1357950 |