| SpectraBase Spectrum ID |
9ydQLoQl375 |
| Name |
2.alpha.-Cyano-3.alpha.-dichloromethyl-3.beta.-methyl-5.alpha.-cholestane |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C30H49Cl2N |
| InChI |
InChI=1S/C30H49Cl2N/c1-19(2)8-7-9-20(3)24-12-13-25-23-11-10-21-16-30(6,27(31)32)22(18-33)17-29(21,5)26(23)14-15-28(24,25)4/h19-27H,7-17H2,1-6H3/t20-,21+,22+,23+,24-,25+,26+,28-,29+,30+/m1/s1 |
| InChIKey |
YMUPXDZOUGLMHQ-GRGVOWEXSA-N |
| Molecular Weight |
494.635 g/mol |
| SMILES |
[C@]1([C@@](C[C@]2([C@](C1)(CC[C@]1([C@@]3(CC[C@]([C@@](CCCC(C)C)(C)[H])([C@@]3(C)CC[C@]21[H])[H])[H])[H])[H])C)(C#N)[H])(C)C(Cl)Cl |
| SPLASH |
splash10-000m-3115900000-b1641f4f5aeb92aa10b4 |
| Source of Spectrum |
F-62-1077-24 |
| Synonyms |
(2alpha,3alpha,5alpha)-3-(dichloromethyl)-3-methylcholestane-2-carbonitrile |
| Wiley ID |
1632115 |
