| SpectraBase Compound ID | ErmbU1MxJGF |
|---|---|
| InChI | InChI=1S/C29H40N2O/c1-28-16-6-5-7-20(28)8-13-23-24(28)14-17-29(2)25(27(32)19-26(23)29)15-18-30-21-9-11-22(12-10-21)31(3)4/h9-12,15,18,20,23-24,26H,5-8,13-14,16-17,19H2,1-4H3/b25-15+,30-18+/t20?,23-,24+,26+,28+,29-/m1/s1 |
| InChIKey | AFCXNFQIYVHTDD-SCCLVUTGSA-N |
| Mol Weight | 432.7 g/mol |
| Molecular Formula | C29H40N2O |
| Exact Mass | 432.314064 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | AXfBhzJ4Y3F |
|---|---|
| Name | (Z)-21-(N-(4'-Dimethylamino)phenyl)iminopregn-17(20)-en-16-one |
| Alternate Name(s) | (17Z)-21-{[4-(dimethylamino)phenyl]imino}pregn-17-en-16-one |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C29H40N2O |
| InChI | InChI=1S/C29H40N2O/c1-28-16-6-5-7-20(28)8-13-23-24(28)14-17-29(2)25(27(32)19-26(23)29)15-18-30-21-9-11-22(12-10-21)31(3)4/h9-12,15,18,20,23-24,26H,5-8,13-14,16-17,19H2,1-4H3/b25-15+,30-18+/t20?,23-,24+,26+,28+,29-/m1/s1 |
| InChIKey | AFCXNFQIYVHTDD-SCCLVUTGSA-N |
| Molecular Weight | 432.652 g/mol |
| SMILES | [C@@]12([C@]([C@@]3(CCC4[C@]([C@]3(CC2)[H])(C)CCCC4)[H])(CC(\C1=C\C=N\c1ccc(cc1)N(C)C)=O)[H])C |
| SPLASH | splash10-052f-9000000000-54af3297b2316ab501b6 |
| Source of Spectrum | J-64-5924-12 |
| Wiley ID | 1530804 |