| SpectraBase Compound ID | 9TgftNylZA3 |
|---|---|
| InChI | InChI=1S/C29H53NO/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/h19-27,31H,8-18H2,1-7H3 |
| InChIKey | KYIILUDONLMMNY-UHFFFAOYSA-N |
| Mol Weight | 431.7 g/mol |
| Molecular Formula | C29H53NO |
| Exact Mass | 431.412715 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 3PVUXFbCw8J |
|---|---|
| Name | Cholestan-3-ol, 2-(dimethylamino)-, (2.beta.,3.alpha.,5.alpha.)- |
| CAS Registry Number | 2454-45-7 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C29H53NO |
| InChI | InChI=1S/C29H53NO/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/h19-27,31H,8-18H2,1-7H3 |
| InChIKey | KYIILUDONLMMNY-UHFFFAOYSA-N |
| Molecular Weight | 431.749 g/mol |
| SMILES | OC1CC2C(C)(C3C(C4C(CC3)(C)C(C(CCCC(C)C)C)CC4)CC2)CC1N(C)C |
| SPLASH | splash10-001j-9401300000-9ab1ddc78109c93b5c46 |
| Source of Spectrum | SD-1981-0-0 |
| Synonyms | 2-(Dimethylamino)cholestan-3-ol 2-(dimethylamino)-10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol 2-(dimethylamino)-17-(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-3-ol 5.alpha.-Cholestan-3.alpha.-ol, 2.beta.-(dimethylamino)- |
| Wiley ID | 1382033 |