| SpectraBase Compound ID | 6ix2HUVsheY |
|---|---|
| InChI | InChI=1S/C20H28O2/c1-19-10-8-16-15-7-5-14(22-3)12-13(15)4-6-17(16)18(19)9-11-20(19,2)21/h5,7,12,16-18,21H,4,6,8-11H2,1-3H3/t16-,17-,18+,19+,20+/m1/s1/i2D3 |
| InChIKey | AZQAIRJYCUWZPD-GGCCWIQKSA-N |
| Mol Weight | 303.46 g/mol |
| Molecular Formula | C20H252D3O2 |
| Exact Mass | 303.22776 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | FrKebOFPV4m |
|---|---|
| Name | 3-Methoxy-17.alpha.-(trideuteriomethyl)estra-1,3,5(10)-trien-17.beta.-ol |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C20H25D3O2 |
| InChI | InChI=1S/C20H28O2/c1-19-10-8-16-15-7-5-14(22-3)12-13(15)4-6-17(16)18(19)9-11-20(19,2)21/h5,7,12,16-18,21H,4,6,8-11H2,1-3H3/t16-,17-,18+,19+,20+/m1/s1/i2D3 |
| InChIKey | AZQAIRJYCUWZPD-GGCCWIQKSA-N |
| Molecular Weight | 303.460 g/mol |
| SMILES | O[C@]1(CC[C@]2([C@@]3(CCc4cc(ccc4[C@]3(CC[C@]12C)[H])OC)[H])[H])C([2D])([2D])[2D] |
| SPLASH | splash10-0udj-3559000000-5748afc872c6f0c13d12 |
| Source of Spectrum | D8-327-641-1 |
| Wiley ID | 1515496 |