Debug Info

object
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_id
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HkY2bZYnfVT
compoundID
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HkY2bZYnfVT
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names
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name
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Thiocyanic acid, 2.alpha.-methyl-5.alpha.-cholestan-3.beta.-yl ester
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Thiocyanic acid, 2.alpha.-methyl-5.alpha.-cholestan-3.beta.-yl ester
SpectraBase Compound ID HkY2bZYnfVT
InChI InChI=1S/C29H49NS/c1-19(2)8-7-9-20(3)24-12-13-25-23-11-10-22-16-27(31-18-30)21(4)17-29(22,6)26(23)14-15-28(24,25)5/h19-27H,7-17H2,1-6H3
InChIKey LLPUIHGENWQKOJ-UHFFFAOYSA-N
Mol Weight 443.8 g/mol
Molecular Formula C29H49NS
Exact Mass 443.358572 g/mol
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  • 2-Methylcholestan-3-yl thiocyanate
  • Thiocyanic acid, 2.alpha.-methyl-5.alpha.-cholestan-3.alpha.-yl ester
  • Thiocyanic acid, 2.beta.-methyl-5.alpha.-cholestan-3.alpha.-yl ester
  • [17-(1,5-dimethylhexyl)-2,10,13-trimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] thiocyanate
  • thiocyanic acid [2,10,13-trimethyl-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-yl] ester
  • [2,10,13-trimethyl-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-yl] thiocyanate

This compound is available in the following databases:

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Wiley Registry of Mass Spectral Data 2023

Author: Wiley

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