| SpectraBase Compound ID | 2iw8FVTO7pw |
|---|---|
| InChI | InChI=1S/C20H26O2/c1-12-10-14(22-3)11-13-4-5-15-16(19(12)13)8-9-20(2)17(15)6-7-18(20)21/h10-11,15-17H,4-9H2,1-3H3 |
| InChIKey | MMQXXBVYUZGAKI-UHFFFAOYSA-N |
| Mol Weight | 298.43 g/mol |
| Molecular Formula | C20H26O2 |
| Exact Mass | 298.19328 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 33QhmdP0RE |
|---|---|
| Name | Estra-1,3,5(10)-trien-17-one, 3-methoxy-1-methyl- |
| CAS Registry Number | 2684-40-4 |
| Copyright | Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C20H26O2 |
| InChI | InChI=1S/C20H26O2/c1-12-10-14(22-3)11-13-4-5-15-16(19(12)13)8-9-20(2)17(15)6-7-18(20)21/h10-11,15-17H,4-9H2,1-3H3 |
| InChIKey | MMQXXBVYUZGAKI-UHFFFAOYSA-N |
| Molecular Weight | 298.426 g/mol |
| SMILES | C12(C(C3CCc4c(C3CC2)c(cc(OC)c4)C)CCC1=O)C |
| SPLASH | splash10-01vk-2950000000-1c17d19b3d0b113a37a4 |
| Source of Spectrum | W5-1989-48101-17435 |
| Synonyms | 3-Methoxy-1-methylestra-1,3,5(10)-trien-17-one 1-Methylestrone 3-methyl ether 1-Methylestrone methyl ether 3-Methoxy-1,13-dimethyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one 6H-Cyclopenta[a]phenantren-17-one, 7,8,9,11,12,13,14,15,16,17-decahydro-3-methoxy-1,13-dimethyl- |
| Wiley ID | 1301503 |