Debug Info

object
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_id
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LCMvjyX3JuE
compoundID
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LCMvjyX3JuE
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names
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name
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3-.beta.-Cyanomethy-3.alpha.-dichloromethyl-5.alpha.-cholestane
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3-.beta.-Cyanomethy-3.alpha.-dichloromethyl-5.alpha.-cholestane
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
Enantiomer InChIKey JAPCPQJUVFWNBQ-NKTOUYCVSA-N
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  • 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-(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-[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

This compound is available in the following databases:

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