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CHOLEST-1-EN-3-ONE
SpectraBase Compound ID JuRmHm09yUa
InChI InChI=1S/C27H44O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h13,15,18-20,22-25H,6-12,14,16-17H2,1-5H3/t19-,20?,22+,23-,24+,25+,26+,27-/m1/s1
InChIKey IIPHPVVRBVBREZ-ZTPZMMAUSA-N
Mol Weight 384.6 g/mol
Molecular Formula C27H44O
Exact Mass 384.339216 g/mol
Enantiomer InChIKey IIPHPVVRBVBREZ-ALUPFCHQSA-N
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  • 17-(1,5-DIMETHYL-HEXYL)-10,13-DIMETHYL-4,5,6,7,8,9,10,11,12,13,14,15,16,17-TETRADECAHYDRO-CYCLOPENTA[A]PHENANTHREN-3-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)]heptadec-3-en-5-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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