| SpectraBase Compound ID | 5HDgAJP7XUk |
|---|---|
| InChI | InChI=1S/C31H50N2/c1-22(32(4)5)27-14-15-28-26-13-12-24-20-25(33(6)21-23-10-8-7-9-11-23)16-18-30(24,2)29(26)17-19-31(27,28)3/h7-11,22,24-29H,12-21H2,1-6H3/t22-,24-,25-,26-,27+,28-,29-,30-,31+/m0/s1 |
| InChIKey | SRXWLQYLSKHWMI-WTIXRUGHSA-N |
| Mol Weight | 450.8 g/mol |
| Molecular Formula | C31H50N2 |
| Exact Mass | 450.3974 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | ACMfQ3nk0Yd |
|---|---|
| Name | 20-(N,N-Dimethylamino)-3.beta.-(benzyl)-N-(methylamino))-pregnane |
| Alternate Name(s) | (3S,5S,8R,9S,10S,13S,14S,17S)-N-benzyl-17-[(1S)-1-(dimethylamino)ethyl]-N,10,13-trimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-amine (3S,5S,8R,9S,10S,13S,14S,17S)-17-[(1S)-1-(dimethylamino)ethyl]-N,10,13-trimethyl-N-(phenylmethyl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-amine |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C31H50N2 |
| InChI | InChI=1S/C31H50N2/c1-22(32(4)5)27-14-15-28-26-13-12-24-20-25(33(6)21-23-10-8-7-9-11-23)16-18-30(24,2)29(26)17-19-31(27,28)3/h7-11,22,24-29H,12-21H2,1-6H3/t22-,24-,25-,26-,27+,28-,29-,30-,31+/m0/s1 |
| InChIKey | SRXWLQYLSKHWMI-WTIXRUGHSA-N |
| Molecular Weight | 450.755 g/mol |
| SMILES | [C@@]12([C@]([C@@]3(CC[C@@]4([C@@]([C@]3(CC2)[H])(CC[C@](N(Cc2ccccc2)C)(C4)[H])C)[H])[H])(CC[C@@]1([C@@](N(C)C)(C)[H])[H])[H])C |
| SPLASH | splash10-00di-9300000000-e225a6541fcae47b81e6 |
| Source of Spectrum | G4-61-206-6 |
| Wiley ID | 1607120 |