| SpectraBase Compound ID | HlDI5qIHws8 |
|---|---|
| InChI | InChI=1S/C28H45NO/c1-19(2)7-6-8-20(3)23-9-10-24-22-12-16-28(18-29)17-21(30)11-15-27(28,5)25(22)13-14-26(23,24)4/h19-20,22-25H,6-17H2,1-5H3/t20?,22?,23?,24?,25?,26-,27-,28+/m1/s1 |
| InChIKey | LQXDEIFCAJLJSU-RBKWLAMKSA-N |
| Mol Weight | 411.7 g/mol |
| Molecular Formula | C28H45NO |
| Exact Mass | 411.350115 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 2f6nqKMzMqA |
|---|---|
| Name | Cholestane-5-carbonitrile, 3-oxo-, (5.alpha.)- |
| Alternate Name(s) | 10,13-dimethyl-17-(6-methylheptan-2-yl)-3-oxidanylidene-2,4,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-5-carbonitrile 10,13-dimethyl-17-(6-methylheptan-2-yl)-3-oxo-2,4,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-5-carbonitrile 17-(1,5-dimethylhexyl)-10,13-dimethyl-3-oxo-2,4,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-5-carbonitrile 17-(1,5-dimethylhexyl)-3-keto-10,13-dimethyl-2,4,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-5-carbonitrile 5.alpha.-Cholestane-5-carbonitrile, 3-oxo- 5.alpha.-Cyanocholestan-3-one |
| CAS Registry Number | 1424-21-1 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C28H45NO |
| InChI | InChI=1S/C28H45NO/c1-19(2)7-6-8-20(3)23-9-10-24-22-12-16-28(18-29)17-21(30)11-15-27(28,5)25(22)13-14-26(23,24)4/h19-20,22-25H,6-17H2,1-5H3/t20?,22?,23?,24?,25?,26-,27-,28+/m1/s1 |
| InChIKey | LQXDEIFCAJLJSU-RBKWLAMKSA-N |
| Molecular Weight | 411.674 g/mol |
| SMILES | [C@@]12(C(C3CC[C@@]4([C@@](C3CC2)(CCC(=O)C4)C)C#N)CCC1C(CCCC(C)C)C)C |
| SPLASH | splash10-0a4i-9270200000-ec3c69c61711d21d7791 |
| Source of Spectrum | AD-0-5229-0 |
| Wiley ID | 57989 |