![17.beta.-[N-(3"-(Trifluoromethyl)-4"-nitrophenyl]-2'-methylpropionamido]-4-methyl-4-aza-5.alpha.-androstan-3-one](/api/spectrum/CCklSGlhTrV/structure.png?h=300&w=458 "17.beta.-[N-(3\"-(Trifluoromethyl)-4\"-nitrophenyl]-2'-methylpropionamido]-4-methyl-4-aza-5.alpha.-androstan-3-one")
| SpectraBase Compound ID | IuK0HZ39VKp |
|---|---|
| InChI | InChI=1S/C30H40F3N3O4/c1-17(15-18-5-8-23(36(39)40)22(16-18)30(31,32)33)27(38)34-24-9-7-20-19-6-10-25-29(3,14-12-26(37)35(25)4)21(19)11-13-28(20,24)2/h5,8,16-17,19-21,24-25H,6-7,9-15H2,1-4H3,(H,34,38)/t17?,19?,20?,21?,24-,25+,28-,29+/m0/s1 |
| InChIKey | UVXNGWGJBJFMMI-NUXXAUDNSA-N |
| Mol Weight | 563.7 g/mol |
| Molecular Formula | C30H40F3N3O4 |
| Exact Mass | 563.297091 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | CCklSGlhTrV |
|---|---|
| Name | 17.beta.-[N-(3"-(Trifluoromethyl)-4"-nitrophenyl]-2'-methylpropionamido]-4-methyl-4-aza-5.alpha.-androstan-3-one |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C30H40F3N3O4 |
| InChI | InChI=1S/C30H40F3N3O4/c1-17(15-18-5-8-23(36(39)40)22(16-18)30(31,32)33)27(38)34-24-9-7-20-19-6-10-25-29(3,14-12-26(37)35(25)4)21(19)11-13-28(20,24)2/h5,8,16-17,19-21,24-25H,6-7,9-15H2,1-4H3,(H,34,38)/t17?,19?,20?,21?,24-,25+,28-,29+/m0/s1 |
| InChIKey | UVXNGWGJBJFMMI-NUXXAUDNSA-N |
| Molecular Weight | 563.662 g/mol |
| SMILES | N(C(C(Cc1cc(C(F)(F)F)c(N(=O)=O)cc1)C)=O)[C@@]1([C@]2(CCC3[C@@]4([C@](N(C)C(CC4)=O)(CCC3C2CC1)[H])C)C)[H] |
| SPLASH | splash10-0229-9250470000-4d5bcc653e6282b51f6a |
| Source of Spectrum | E1-38-1170-53 |
| Wiley ID | 1598265 |