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3-(2-METHYLBENZYLIDENE)CHOLESTANE-2-CARBALDEHYDE
SpectraBase Compound ID 14mI3bnun1V
InChI InChI=1S/C36H54O/c1-24(2)10-9-12-26(4)32-16-17-33-31-15-14-30-21-28(20-27-13-8-7-11-25(27)3)29(23-37)22-36(30,6)34(31)18-19-35(32,33)5/h7-8,11,13,20,23-24,26,29-34H,9-10,12,14-19,21-22H2,1-6H3/b28-20+/t26-,29?,30?,31+,32-,33+,34+,35-,36+/m1/s1
InChIKey PUSBXSGYRDHHNP-RARZTZSLSA-N
Mol Weight 502.8 g/mol
Molecular Formula C36H54O
Exact Mass 502.417466 g/mol
Enantiomer InChIKey PUSBXSGYRDHHNP-BNWAITPHSA-N
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  • (1S,2S,5E,10R,11S,14R,15R)-2,15-dimethyl-14-[(2R)-6-methylheptan-2-yl]-5-[(2-methylphenyl)methylidene]tetracyclo[8.7.0.0(2,7).0(11,15)]heptadecane-4-carbaldehyde
  • 17-(1,5-DIMETHYL-HEXYL)-10,13-DIMETHYL-3-(2-METHYL-BENZYLIDENE)-HEXADECAHYDRO-CYCLOPENTA[A]PHENANTHRENE-2-CARBALDEHYDE

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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