| SpectraBase Compound ID | 6iQpssAU5lV |
|---|---|
| InChI | InChI=1S/C29H38O4/c1-3-32-19-33-22-10-12-23-21(17-22)9-11-25-24(23)13-15-28(2)26(25)14-16-29(28,31)18-27(30)20-7-5-4-6-8-20/h4-8,10,12,17,24-27,30-31H,3,9,11,13-16,18-19H2,1-2H3/t24-,25-,26+,27?,28+,29-/m1/s1 |
| InChIKey | XYQHEZIDMNBXNO-NFQRHMSUSA-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 | 5FUCOnLITX4 |
|---|---|
| Name | 3-O-Ethoxymethyl-17.alpha.-(2-hydroxy-2-phenylethyl)-17.beta.-estradiol |
| Alternate Name(s) | 2-[(17beta)-3-(ethoxymethoxy)-17-hydroxyestra-1,3,5(10)-trien-17-yl]-1-phenylethanol |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C29H38O4 |
| InChI | InChI=1S/C29H38O4/c1-3-32-19-33-22-10-12-23-21(17-22)9-11-25-24(23)13-15-28(2)26(25)14-16-29(28,31)18-27(30)20-7-5-4-6-8-20/h4-8,10,12,17,24-27,30-31H,3,9,11,13-16,18-19H2,1-2H3/t24-,25-,26+,27?,28+,29-/m1/s1 |
| InChIKey | XYQHEZIDMNBXNO-NFQRHMSUSA-N |
| Molecular Weight | 450.619 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)c1ccccc1 |
| SPLASH | splash10-0a6r-9100000000-4e901f298559f2eed2b0 |
| Source of Spectrum | KD-12-805-3 |
| Wiley ID | 1634314 |