![2-[3-(4-nitro-phenyl)-2-oxo-propyl]-17.beta.-hydroxyandrost-4-en-3-one](/api/spectrum/83GrCwfaILt/structure.png?h=300&w=458 "2-[3-(4-nitro-phenyl)-2-oxo-propyl]-17.beta.-hydroxyandrost-4-en-3-one")
| SpectraBase Compound ID | LTieVjxsFHA |
|---|---|
| InChI | InChI=1S/C28H35NO5/c1-27-12-11-24-22(23(27)9-10-26(27)32)8-5-19-15-25(31)18(16-28(19,24)2)14-21(30)13-17-3-6-20(7-4-17)29(33)34/h3-4,6-7,15,18,22-24,26,32H,5,8-14,16H2,1-2H3/t18?,22?,23?,24?,26-,27?,28?/m0/s1 |
| InChIKey | DYNPPMNKNQDRTI-RMKNTOSOSA-N |
| Mol Weight | 465.6 g/mol |
| Molecular Formula | C28H35NO5 |
| Exact Mass | 465.251523 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 83GrCwfaILt |
|---|---|
| Name | 2-[3-(4-nitro-phenyl)-2-oxo-propyl]-17.beta.-hydroxyandrost-4-en-3-one |
| Alternate Name(s) | 1-[(17beta)-17-hydroxy-3-oxoandrost-4-en-2-yl]-3-(4-nitrophenyl)acetone 2-[(4-Nitrobenzoyl)methyl]-17.beta.-hydroxyandrost-4-en-3-one |
| Comments | Less than 3 mono-isotopic peaks |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C28H35NO5 |
| InChI | InChI=1S/C28H35NO5/c1-27-12-11-24-22(23(27)9-10-26(27)32)8-5-19-15-25(31)18(16-28(19,24)2)14-21(30)13-17-3-6-20(7-4-17)29(33)34/h3-4,6-7,15,18,22-24,26,32H,5,8-14,16H2,1-2H3/t18?,22?,23?,24?,26-,27?,28?/m0/s1 |
| InChIKey | DYNPPMNKNQDRTI-RMKNTOSOSA-N |
| Molecular Weight | 465.590 g/mol |
| SMILES | O[C@@]1(C2(CCC3C4(C(=CC(C(C4)CC(=O)Cc4ccc(N(=O)=O)cc4)=O)CCC3C2CC1)C)C)[H] |
| SPLASH | splash10-004i-0009000000-07c10768c9f1070971b7 |
| Source of Spectrum | F-54-15264-7 |
| Wiley ID | 810000 |