| SpectraBase Compound ID | FnMLfpzq7e1 |
|---|---|
| InChI | InChI=1S/C29H53N/c1-20(2)9-8-10-21(3)25-15-16-26-24-14-12-22-11-13-23(30(6)7)19-29(22,5)27(24)17-18-28(25,26)4/h20-27H,8-19H2,1-7H3/t21-,22?,23+,24+,25-,26+,27+,28-,29+/m1/s1 |
| InChIKey | LIZODKFCYQIKMJ-BDTGNVPZSA-N |
| Mol Weight | 415.8 g/mol |
| Molecular Formula | C29H53N |
| Exact Mass | 415.417801 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 7IjKRJhTD6f |
|---|---|
| Name | 2.alpha.-dimethylaminocholestane |
| Alternate Name(s) | N,N-Dimethylcholestan-2-amine (2S,8R,9S,10S,13R,14S,17R)-17-[(1R)-1,5-dimethylhexyl]-N,N,10,13-tetramethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-2-amine (2S,8R,9S,10S,13R,14S,17R)-N,N,10,13-tetramethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-2-amine [(2S,8R,9S,10S,13R,14S,17R)-17-[(1R)-1,5-dimethylhexyl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-2-yl]-dimethyl-amine |
| CAS Registry Number | 55331-90-3 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C29H53N |
| InChI | InChI=1S/C29H53N/c1-20(2)9-8-10-21(3)25-15-16-26-24-14-12-22-11-13-23(30(6)7)19-29(22,5)27(24)17-18-28(25,26)4/h20-27H,8-19H2,1-7H3/t21-,22?,23+,24+,25-,26+,27+,28-,29+/m1/s1 |
| InChIKey | LIZODKFCYQIKMJ-BDTGNVPZSA-N |
| Molecular Weight | 415.750 g/mol |
| SMILES | [C@@]12([C@]([C@@]3(CCC4[C@@]([C@]3(CC2)[H])(C[C@@](N(C)C)(CC4)[H])C)[H])(CC[C@@]1([C@@](CCCC(C)C)(C)[H])[H])[H])C |
| SPLASH | splash10-05o0-9300200000-0ac7a986e3858f6b8bca |
| Source of Spectrum | DB-0-18-9 |
| Wiley ID | 58367 |