1,3,5(10)-ESTRATRIEN-17-ALPHA-METHYL-3,17-BETA-DIOL 3-METHYL ETHER 基本信息
| 中文名稱 | 1,3,5(10)-ESTRATRIEN-17-ALPHA-METHYL-3,17-BETA-DIOL 3-METHYL ETHER |
|---|---|
| 中文同義詞 | 普羅雌烯雜質(zhì)5 |
| 英文名稱 | 1,3,5(10)-ESTRATRIEN-17-ALPHA-METHYL-3,17-BETA-DIOL 3-METHYL ETHER |
| 英文同義詞 | 17-ALPHA-METHYLESTRADIOL 3-METHYL ETHER;METHYLESTRADIOL METHYL ETHER;1,3,5(10)-ESTRATRIEN-17-ALPHA-METHYL-3,17-BETA-DIOL 3-METHYL ETHER;Promestriene Impurity 5;Estra-1,3,5(10)-triene, 3,17-dimethoxy-, (17β)-;17β-Estradiol Dimethyl Ether;17b-Estradiol Dimethyl Ether;17β-Estradiol Dimethyl Ether, CAS 4954-14-7 |
| CAS號(hào) | 4954-14-7 |
| 分子式 | C20H28O2 |
| 分子量 | 300.44 |
| EINECS號(hào) | |
| 相關(guān)類別 | Pharmaceuticals, Intermediates & Fine Chemicals, Steroids |
| Mol文件 | 4954-14-7.mol |
| 結(jié)構(gòu)式 |  |
1,3,5(10)-ESTRATRIEN-17-ALPHA-METHYL-3,17-BETA-DIOL 3-METHYL ETHER 性質(zhì)
| 熔點(diǎn) | 160.5-162 °C(Solv: ethanol (64-17-5)) |
|---|---|
| 沸點(diǎn) | 410.0±45.0 °C(Predicted) |
| 密度 | 1.08±0.1 g/cm3(Predicted) |
| 儲(chǔ)存條件 | -20°C Freezer |
| 溶解度 | 可溶于氯仿（輕微）、DMSO（輕微、加熱）、乙醇（輕微）、乙酸乙酯 |
| 形態(tài) | 固體 |
| 顏色 | 白色至類白色 |
| InChI | InChI=1/C20H28O2/c1-19-10-8-16-15-7-5-14(22-3)12-13(15)4-6-17(16)18(19)9-11-20(19,2)21/h5,7,12,16-18,21H,4,6,8-11H2,1-3H3/t16-,17-,18+,19+,20+/s3 |
| InChIKey | AZQAIRJYCUWZPD-CNWXAJSBNA-N |
| SMILES | [C@@]12([H])CCC3C=C(OC)C=CC=3[C@@]1([H])CC[C@]1(C)[C@](CC[C@@]21[H])(O)C |&1:0,12,16,18,21,r| |
| CAS 數(shù)據(jù)庫 | 4954-14-7 |