| SpectraBase Compound ID | K5BqaGEaH6c |
|---|---|
| InChI | InChI=1S/C29H51NO/c1-19(2)9-8-10-20(3)23-13-14-24-22-12-11-21-17-27(31)26(30(6)7)18-29(21,5)25(22)15-16-28(23,24)4/h19-26H,8-18H2,1-7H3 |
| InChIKey | USRNBDRPPOMONI-UHFFFAOYSA-N |
| Mol Weight | 429.7 g/mol |
| Molecular Formula | C29H51NO |
| Exact Mass | 429.397065 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | EEVuW3AyiV7 |
|---|---|
| Name | Cholestan-3-one, 2-(dimethylamino)-, (2.beta.,5.alpha.)- |
| CAS Registry Number | 54725-09-6 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C29H51NO |
| InChI | InChI=1S/C29H51NO/c1-19(2)9-8-10-20(3)23-13-14-24-22-12-11-21-17-27(31)26(30(6)7)18-29(21,5)25(22)15-16-28(23,24)4/h19-26H,8-18H2,1-7H3 |
| InChIKey | USRNBDRPPOMONI-UHFFFAOYSA-N |
| Molecular Weight | 429.733 g/mol |
| SMILES | CC12C3C(C4C(CC3)(C)C(C(CCCC(C)C)C)CC4)CCC2CC(C(C1)N(C)C)=O |
| SPLASH | splash10-03di-9400200000-b2fa938e918e8fa9bec5 |
| Source of Spectrum | SD-1981-0-0 |
| Synonyms | 2-(Dimethylamino)cholestan-3-one 2-(dimethylamino)-10,13-dimethyl-17-(6-methylheptan-2-yl)-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-one 2-(dimethylamino)-17-(1,5-dimethylhexyl)-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-one |
| Wiley ID | 1381278 |