| SpectraBase Compound ID | 1paUEYix7XH |
|---|---|
| InChI | InChI=1S/C22H32O3/c1-4-24-14-25-16-6-8-17-15(13-16)5-7-19-18(17)9-11-21(2)20(19)10-12-22(21,3)23/h6,8,13,18-20,23H,4-5,7,9-12,14H2,1-3H3/t18-,19-,20+,21+,22+/m1/s1/i3D |
| InChIKey | QTTDBARAXKVTPW-CSTFDKOHSA-N |
| Mol Weight | 345.5 g/mol |
| Molecular Formula | C22H312DO3 |
| Exact Mass | 345.241422 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 4KDxw3mSz7d |
|---|---|
| Name | 17-.alpha.-Deuteriomethyl-3-O-ethoxymethyl-17.beta.-estradiol |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C22H31DO3 |
| InChI | InChI=1S/C22H32O3/c1-4-24-14-25-16-6-8-17-15(13-16)5-7-19-18(17)9-11-21(2)20(19)10-12-22(21,3)23/h6,8,13,18-20,23H,4-5,7,9-12,14H2,1-3H3/t18-,19-,20+,21+,22+/m1/s1/i3D |
| InChIKey | QTTDBARAXKVTPW-CSTFDKOHSA-N |
| Molecular Weight | 345.501 g/mol |
| SMILES | O[C@@]1([C@@]2([C@]([C@@]3(CCc4c([C@]3(CC2)[H])ccc(OCOCC)c4)[H])(CC1)[H])C)C[2D] |
| SPLASH | splash10-0a4l-9000000000-ca6c041a1045814bb813 |
| Source of Spectrum | KD-12-805-3 |
| Wiley ID | 1634315 |