| SpectraBase Compound ID | JIpiK1uPNBh |
|---|---|
| InChI | InChI=1S/C21H26O3/c1-12-10-14-11-15(24-13(2)22)4-5-16(14)17-8-9-21(3)18(20(12)17)6-7-19(21)23/h4-5,11-12,17-18,20H,6-10H2,1-3H3/t12-,17-,18+,20-,21+/m1/s1 |
| InChIKey | FRHUCMWUOPTVRN-REMQMKFTSA-N |
| Mol Weight | 326.44 g/mol |
| Molecular Formula | C21H26O3 |
| Exact Mass | 326.188195 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | ICqOWIuhMhW |
|---|---|
| Name | 7.alpha.-Methylestrone acetate |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C21H26O3 |
| InChI | InChI=1S/C21H26O3/c1-12-10-14-11-15(24-13(2)22)4-5-16(14)17-8-9-21(3)18(20(12)17)6-7-19(21)23/h4-5,11-12,17-18,20H,6-10H2,1-3H3/t12-,17-,18+,20-,21+/m1/s1 |
| InChIKey | FRHUCMWUOPTVRN-REMQMKFTSA-N |
| Molecular Weight | 326.436 g/mol |
| SMILES | c1(ccc2c(c1)C[C@]([C@]1([C@@]3(CCC(=O)[C@@]3(C)CC[C@]21[H])[H])[H])(C)[H])OC(C)=O |
| SPLASH | splash10-0089-0391000000-47145a610e4f3fca9b7a |
| Source of Spectrum | E1-36-267-0 |
| Synonyms | (7alpha)-7-methyl-17-oxoestra-1,3,5(10)-trien-3-yl acetate Acetic acid[(7R,8R,9S,13S,14S)-17-keto-7,13-dimethyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-yl]ester Acetic acid[(7R,8R,9S,13S,14S)-7,13-dimethyl-17-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-yl]ester [(7R,8R,9S,13S,14S)-7,13-dimethyl-17-oxidanylidene-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-yl]ethanoate [(7R,8R,9S,13S,14S)-7,13-dimethyl-17-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-yl]acetate Acetic acid [(7R,8R,9S,13S,14S)-7,13-dimethyl-17-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-yl] ester [(7R,8R,9S,13S,14S)-7,13-dimethyl-17-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-yl] acetate [(7R,8R,9S,13S,14S)-7,13-dimethyl-17-oxidanylidene-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-yl] ethanoate |
| Wiley ID | 1574634 |