| SpectraBase Compound ID | 2OREAHSES9X |
|---|---|
| InChI | InChI=1S/C25H38O4/c1-5-28-16-29-18-7-9-19-17(14-18)6-8-21-20(19)10-12-24(4)22(21)11-13-25(24,27)15-23(2,3)26/h7,9,14,20-22,26-27H,5-6,8,10-13,15-16H2,1-4H3/t20-,21-,22+,24+,25-/m1/s1 |
| InChIKey | HRSNIOJQLDUEGN-FQFZUICKSA-N |
| Mol Weight | 402.6 g/mol |
| Molecular Formula | C25H38O4 |
| Exact Mass | 402.27701 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | BgHqeCsjlL4 |
|---|---|
| Name | 3-O-Ethoxymethyl-17.alpha.-(2-hydroxy-2-methylpropyl)-17.beta.-estradiol |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C25H38O4 |
| InChI | InChI=1S/C25H38O4/c1-5-28-16-29-18-7-9-19-17(14-18)6-8-21-20(19)10-12-24(4)22(21)11-13-25(24,27)15-23(2,3)26/h7,9,14,20-22,26-27H,5-6,8,10-13,15-16H2,1-4H3/t20-,21-,22+,24+,25-/m1/s1 |
| InChIKey | HRSNIOJQLDUEGN-FQFZUICKSA-N |
| Molecular Weight | 402.575 g/mol |
| SMILES | OC(C[C@]1([C@@]2([C@]([C@@]3(CCc4c([C@]3(CC2)[H])ccc(OCOCC)c4)[H])(CC1)[H])C)O)(C)C |
| SPLASH | splash10-0a4i-9011000000-99e9f2d5c296fd3eb5db |
| Source of Spectrum | KD-12-805-3 |
| Synonyms | 1-[(17beta)-3-(ethoxymethoxy)-17-hydroxyestra-1,3,5(10)-trien-17-yl]-2-methyl-2-propanol |
| Wiley ID | 1634313 |