| SpectraBase Compound ID | LCMvjyX3JuE |
|---|---|
| InChI | InChI=1S/C30H49Cl2N/c1-20(2)7-6-8-21(3)24-11-12-25-23-10-9-22-19-30(17-18-33,27(31)32)16-15-28(22,4)26(23)13-14-29(24,25)5/h20-27H,6-17,19H2,1-5H3/t21-,22+,23+,24-,25+,26+,28+,29-,30+/m1/s1 |
| InChIKey | JAPCPQJUVFWNBQ-NUCSBLTQSA-N |
| Mol Weight | 494.6 g/mol |
| Molecular Formula | C30H49Cl2N |
| Exact Mass | 493.324206 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | COvFezJ8ACK |
|---|---|
| Name | 3-.beta.-Cyanomethy-3.alpha.-dichloromethyl-5.alpha.-cholestane |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C30H49Cl2N |
| InChI | InChI=1S/C30H49Cl2N/c1-20(2)7-6-8-21(3)24-11-12-25-23-10-9-22-19-30(17-18-33,27(31)32)16-15-28(22,4)26(23)13-14-29(24,25)5/h20-27H,6-17,19H2,1-5H3/t21-,22+,23+,24-,25+,26+,28+,29-,30+/m1/s1 |
| InChIKey | JAPCPQJUVFWNBQ-NUCSBLTQSA-N |
| Molecular Weight | 494.635 g/mol |
| SMILES | [C@@]1(CC[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(Cl)Cl)CC#N |
| SPLASH | splash10-000f-0008900000-5551d09f1ebe8ccb9717 |
| Source of Spectrum | F-62-1075-3 |
| Synonyms | 2-[(3R,5S,8R,9S,10S,13R,14S,17R)-3-(dichloromethyl)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl]acetonitrile 2-[(3R,5S,8R,9S,10S,13R,14S,17R)-3-(dichloromethyl)-17-[(1R)-1,5-dimethylhexyl]-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl]acetonitrile 2-[(3R,5S,8R,9S,10S,13R,14S,17R)-3-[bis(chloranyl)methyl]-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl]ethanenitrile |
| Wiley ID | 1632128 |