![2-[3-(4-Acetylphenyl)prop-2-yn-1-yl]-10,13-dimethylandrost-4-ene-3-on-17-ol](/api/spectrum/6CTEz3GA6Ok/structure.png?h=300&w=458 "2-[3-(4-Acetylphenyl)prop-2-yn-1-yl]-10,13-dimethylandrost-4-ene-3-on-17-ol")
| SpectraBase Compound ID | GS8bN3MKzqv |
|---|---|
| InChI | InChI=1S/C30H36O3/c1-19(31)21-9-7-20(8-10-21)5-4-6-22-18-30(3)23(17-27(22)32)11-12-24-25-13-14-28(33)29(25,2)16-15-26(24)30/h7-10,17,22,24-26,28,33H,6,11-16,18H2,1-3H3/t22?,24?,25?,26?,28-,29?,30?/m0/s1 |
| InChIKey | FJYMOWLBKYIMKH-ZJYOELQGSA-N |
| Mol Weight | 444.6 g/mol |
| Molecular Formula | C30H36O3 |
| Exact Mass | 444.266445 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 6CTEz3GA6Ok |
|---|---|
| Name | 2-[3-(4-Acetylphenyl)prop-2-yn-1-yl]-10,13-dimethylandrost-4-ene-3-on-17-ol |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C30H36O3 |
| InChI | InChI=1S/C30H36O3/c1-19(31)21-9-7-20(8-10-21)5-4-6-22-18-30(3)23(17-27(22)32)11-12-24-25-13-14-28(33)29(25,2)16-15-26(24)30/h7-10,17,22,24-26,28,33H,6,11-16,18H2,1-3H3/t22?,24?,25?,26?,28-,29?,30?/m0/s1 |
| InChIKey | FJYMOWLBKYIMKH-ZJYOELQGSA-N |
| Molecular Weight | 444.615 g/mol |
| SMILES | O[C@@]1(C2(CCC3C4(C(=CC(C(C4)CC#Cc4ccc(C(=O)C)cc4)=O)CCC3C2CC1)C)C)[H] |
| SPLASH | splash10-0006-1320900000-7de8cea8fe23babb9d38 |
| Source of Spectrum | F-54-15264-2 |
| Wiley ID | 810001 |