![3-O-Ethoxymethyl-17.alpha.-[2-(hydroxymethyl)phenylmethyl]-17.beta.-estradiol](/api/spectrum/GZqUmLCuID2/structure.png?h=300&w=458 "3-O-Ethoxymethyl-17.alpha.-[2-(hydroxymethyl)phenylmethyl]-17.beta.-estradiol")
| SpectraBase Compound ID | Gda2kFBdQkp |
|---|---|
| InChI | InChI=1S/C29H38O4/c1-3-32-19-33-23-9-11-24-20(16-23)8-10-26-25(24)12-14-28(2)27(26)13-15-29(28,31)17-21-6-4-5-7-22(21)18-30/h4-7,9,11,16,25-27,30-31H,3,8,10,12-15,17-19H2,1-2H3/t25-,26-,27+,28+,29-/m1/s1 |
| InChIKey | HHXBKWRYGHPVCV-MJXUZWQSSA-N |
| Mol Weight | 450.6 g/mol |
| Molecular Formula | C29H38O4 |
| Exact Mass | 450.27701 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | GZqUmLCuID2 |
|---|---|
| Name | 3-O-Ethoxymethyl-17.alpha.-[2-(hydroxymethyl)phenylmethyl]-17.beta.-estradiol |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C29H38O4 |
| InChI | InChI=1S/C29H38O4/c1-3-32-19-33-23-9-11-24-20(16-23)8-10-26-25(24)12-14-28(2)27(26)13-15-29(28,31)17-21-6-4-5-7-22(21)18-30/h4-7,9,11,16,25-27,30-31H,3,8,10,12-15,17-19H2,1-2H3/t25-,26-,27+,28+,29-/m1/s1 |
| InChIKey | HHXBKWRYGHPVCV-MJXUZWQSSA-N |
| Molecular Weight | 450.619 g/mol |
| SMILES | OCc1c(C[C@]2([C@@]3([C@]([C@@]4(CCc5c([C@]4(CC3)[H])ccc(OCOCC)c5)[H])(CC2)[H])C)O)cccc1 |
| SPLASH | splash10-0pb9-5923200000-5e58a9d80a0437c34d22 |
| Source of Spectrum | KD-12-808-14 |
| Synonyms | (2-{[(17beta)-3-(ethoxymethoxy)-17-hydroxyestra-1,3,5(10)-trien-17-yl]methyl}phenyl)methanol |
| Wiley ID | 1634302 |