| SpectraBase Compound ID | 72HTFcMP8HN |
|---|---|
| InChI | InChI=1S/C22H28O4/c1-13(23)25-16-5-7-17-15(12-16)4-6-19-18(17)10-11-22(3)20(19)8-9-21(22)26-14(2)24/h5,7,12,18-21H,4,6,8-11H2,1-3H3/t18-,19-,20+,21?,22+/m1/s1 |
| InChIKey | VQHQLBARMFAKSV-QIKJAYGVSA-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 | 9IN6vAOZIxt |
|---|---|
| Name | .alpha.-Estradiol diacetate |
| CAS Registry Number | 1474-52-8 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C22H28O4 |
| InChI | InChI=1S/C22H28O4/c1-13(23)25-16-5-7-17-15(12-16)4-6-19-18(17)10-11-22(3)20(19)8-9-21(22)26-14(2)24/h5,7,12,18-21H,4,6,8-11H2,1-3H3/t18-,19-,20+,21?,22+/m1/s1 |
| InChIKey | VQHQLBARMFAKSV-QIKJAYGVSA-N |
| Molecular Weight | 356.462 g/mol |
| SMILES | [C@@]12([C@]([C@@]3(CCc4c([C@]3(CC2)[H])ccc(OC(=O)C)c4)[H])(CCC1OC(=O)C)[H])C |
| SPLASH | splash10-03di-1937000000-f41c29f820cf6dc35cdc |
| Source of Spectrum | CJ-1992-0-0 |
| Synonyms | 17.alpha.-Estradiol diacetate Acetic acid [(8R,9S,13S,14S)-3-acetyloxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] ester [(8R,9S,13S,14S)-3-acetyloxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] acetate [(8R,9S,13S,14S)-3-acetoxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] acetate [(8R,9S,13S,14S)-3-acetyloxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] ethanoate |
| Wiley ID | 1346048 |