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| IUPAC Name: | (8R,9S,13S,14S)-3-hydroxy-4,13-dimethyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one |
| Description: | 4-Methylestrone is an intermediate in the synthesis of 4-substituted estrone and estradiol derivatives with inhibitory activities towards steroid sulfatase as a target for therapeutic intervention of treating breast cancer. |
| Molecular Weight: | 284.39 |
| Molecular Formula: | C19H24O2 |
| Canonical SMILES: | CC1=C(C=CC2=C1CCC3C2CCC4(C3CCC4=O)C)O |
| InChI: | InChI=1S/C19H24O2/c1-11-12-3-4-15-14(13(12)5-7-17(11)20)9-10-19(2)16(15)6-8-18(19)21/h5,7,14-16,20H,3-4,6,8-10H2,1-2H3/t14-,15-,16+,19+/m1/s1 |
| InChI Key: | ZHKWXIUEKZTDQH-JEWRLFTDSA-N |
| Melting Point: | >126°C (dec.) |
| Solubility: | Chloroform (Slightly), Ethyl Acetate (Slightly) |
| Appearance: | Light Beige Solid |
| Storage: | Refrigerator |
| References: | Numazawa, M., et al. J. Steroid. Biochem. Molec. Biol., 96, 51 (2005). |
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