![3-O-Ethoxymethyl-17.alpha.-[2-(2-hydroxyethyl)phenylmethyl]-17.beta.-estradiol](/api/spectrum/38u4y1X5m4M/structure.png?h=300&w=458 "3-O-Ethoxymethyl-17.alpha.-[2-(2-hydroxyethyl)phenylmethyl]-17.beta.-estradiol")
| SpectraBase Compound ID | 6pGVoODN1FW |
|---|---|
| InChI | InChI=1S/C30H40O4/c1-3-33-20-34-24-9-11-25-22(18-24)8-10-27-26(25)12-15-29(2)28(27)13-16-30(29,32)19-23-7-5-4-6-21(23)14-17-31/h4-7,9,11,18,26-28,31-32H,3,8,10,12-17,19-20H2,1-2H3/t26?,27?,28?,29-,30+/m0/s1 |
| InChIKey | ZMGFXRUXDNCEMX-HQRXPGPTSA-N |
| Mol Weight | 464.6 g/mol |
| Molecular Formula | C30H40O4 |
| Exact Mass | 464.29266 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 38u4y1X5m4M |
|---|---|
| Name | 3-O-Ethoxymethyl-17.alpha.-[2-(2-hydroxyethyl)phenylmethyl]-17.beta.-estradiol |
| Alternate Name(s) | 2-(2-{[(17beta)-3-(ethoxymethoxy)-17-hydroxyestra-1,3,5(10)-trien-17-yl]methyl}phenyl)ethanol |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C30H40O4 |
| InChI | InChI=1S/C30H40O4/c1-3-33-20-34-24-9-11-25-22(18-24)8-10-27-26(25)12-15-29(2)28(27)13-16-30(29,32)19-23-7-5-4-6-21(23)14-17-31/h4-7,9,11,18,26-28,31-32H,3,8,10,12-17,19-20H2,1-2H3/t26?,27?,28?,29-,30+/m0/s1 |
| InChIKey | ZMGFXRUXDNCEMX-HQRXPGPTSA-N |
| Molecular Weight | 464.646 g/mol |
| SMILES | OCCc1c(C[C@]2([C@@]3(C(C4CCc5c(C4CC3)ccc(OCOCC)c5)CC2)C)O)cccc1 |
| SPLASH | splash10-0a6r-9816000000-a523a5d5dfd9fffccace |
| Source of Spectrum | KD-12-808-14 |
| Wiley ID | 1634301 |