| SpectraBase Compound ID | DNGgsBce53D |
|---|---|
| InChI | InChI=1S/C21H32O3/c1-12-10-17-14(11-19(12)23)4-5-16-15(17)8-9-21(3)18(16)6-7-20(21)24-13(2)22/h12,14-18,20H,4-11H2,1-3H3 |
| InChIKey | YHOUXRBLUCEHGF-UHFFFAOYSA-N |
| Mol Weight | 332.5 g/mol |
| Molecular Formula | C21H32O3 |
| Exact Mass | 332.235145 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | GYQhpD4wkP1 |
|---|---|
| Name | Estran-3-one, 17-(acetyloxy)-2-methyl-, (2.alpha.,5.alpha.,17.beta.)- |
| CAS Registry Number | 54550-10-6 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C21H32O3 |
| InChI | InChI=1S/C21H32O3/c1-12-10-17-14(11-19(12)23)4-5-16-15(17)8-9-21(3)18(16)6-7-20(21)24-13(2)22/h12,14-18,20H,4-11H2,1-3H3 |
| InChIKey | YHOUXRBLUCEHGF-UHFFFAOYSA-N |
| Molecular Weight | 332.484 g/mol |
| SMILES | CC12C(C3C(CC2)C2C(CC3)CC(C(C2)C)=O)CCC1OC(C)=O |
| SPLASH | splash10-0006-9100000000-3c9dacd5f2c8c5ac20aa |
| Source of Spectrum | SD-1981-0-0 |
| Synonyms | 2-Methyl-3-oxoestran-17-yl acetate (2,13-dimethyl-3-oxidanylidene-2,4,5,6,7,8,9,10,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl) ethanoate (2,13-dimethyl-3-oxo-2,4,5,6,7,8,9,10,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl) acetate Acetic acid (2,13-dimethyl-3-oxo-2,4,5,6,7,8,9,10,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl) ester Acetic acid (3-keto-2,13-dimethyl-2,4,5,6,7,8,9,10,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl) ester |
| Wiley ID | 1329733 |