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CHOLESTAN-4-ONE
SpectraBase Compound ID Aw6pKj9Eng1
InChI InChI=1S/C27H46O/c1-18(2)8-6-9-19(3)21-13-14-22-20-11-12-24-25(28)10-7-16-26(24,4)23(20)15-17-27(21,22)5/h18-24H,6-17H2,1-5H3/t19-,20+,21-,22+,23+,24?,26-,27-/m1/s1
InChIKey DLLMWILXSWQKHZ-WFDUKQKSSA-N
Mol Weight 386.7 g/mol
Molecular Formula C27H46O
Exact Mass 386.354866 g/mol
Enantiomer InChIKey DLLMWILXSWQKHZ-GUMVCTSUSA-N
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  • 17-(1,5-Dimethylhexyl)-10,13-dimethylhexadecahydrocyclopenta[a]phenanthren-4-one
  • (1S,2R,10S,11S,14R,15R)-2,15-dimethyl-14-[(2R)-6-methylheptan-2-yl]tetracyclo[8.7.0.0(2,7).0(11,15)]heptadecan-6-one

This compound is available in the following databases:

Mass Spectra of Physiologically Active Substances - including drugs, steroid hormones,and endocrine disruptors 2011

Author: Parr, Maria Kristina; Opfermann, Georg; Schänzer, Wilhelm; Makin, Hugh L. J.

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