![3-Methoxy-4-[(4-methoxyphenyl)ethyl]-13.alpha.-estra-1,3,5(10)-trien-17-one](/api/spectrum/Ci4DT2uzrHP/structure.png?h=300&w=458 "3-Methoxy-4-[(4-methoxyphenyl)ethyl]-13.alpha.-estra-1,3,5(10)-trien-17-one")
| SpectraBase Compound ID | 9hham9aFMAs |
|---|---|
| InChI | InChI=1S/C28H34O3/c1-28-17-16-22-20-12-14-26(31-3)24(9-6-18-4-7-19(30-2)8-5-18)21(20)10-11-23(22)25(28)13-15-27(28)29/h4-5,7-8,12,14,22-23,25H,6,9-11,13,15-17H2,1-3H3/t22-,23-,25+,28-/m1/s1 |
| InChIKey | YZHQLNQSZDFIQP-XVTSZCMISA-N |
| Mol Weight | 418.6 g/mol |
| Molecular Formula | C28H34O3 |
| Exact Mass | 418.250795 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | Ci4DT2uzrHP |
|---|---|
| Name | 3-Methoxy-4-[(4-methoxyphenyl)ethyl]-13.alpha.-estra-1,3,5(10)-trien-17-one |
| Appearance | Oil |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C28H34O3 |
| InChI | InChI=1S/C28H34O3/c1-28-17-16-22-20-12-14-26(31-3)24(9-6-18-4-7-19(30-2)8-5-18)21(20)10-11-23(22)25(28)13-15-27(28)29/h4-5,7-8,12,14,22-23,25H,6,9-11,13,15-17H2,1-3H3/t22-,23-,25+,28-/m1/s1 |
| InChIKey | YZHQLNQSZDFIQP-XVTSZCMISA-N |
| Ionization Type | EI |
| Literature Reference DOI | 10.3762/bjoc.13.126 |
| Molecular Weight | 418.577 g/mol |
| SMILES | c1cc2c(c(c1OC)CCc1ccc(cc1)OC)CC[C@@]1([C@@]2(CC[C@@]2([C@]1(CCC2=O)[H])C)[H])[H] |
| SPLASH | splash10-0fri-0400900000-7ffecc0534e906699c8e |
| Source of Spectrum | BJO-13-SM20-19 |
| Thin-Layer Chromatography | Rf = 0.62 |
| Wiley ID | 1848189 |