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6-OXOCHOLEST-4-EN-3-YL ACETATE
SpectraBase Compound ID DE61ZEbEU38
InChI InChI=1S/C29H46O3/c1-18(2)8-7-9-19(3)23-10-11-24-22-17-27(31)26-16-21(32-20(4)30)12-14-29(26,6)25(22)13-15-28(23,24)5/h16,18-19,21-25H,7-15,17H2,1-6H3/t19-,21?,22?,23-,24?,25?,28-,29-/m1/s1
InChIKey HTZDJVPKUOXQMG-ATKHMJEASA-N
Mol Weight 442.7 g/mol
Molecular Formula C29H46O3
Exact Mass 442.344695 g/mol
Enantiomer InChIKey HTZDJVPKUOXQMG-CCJGZLTHSA-N
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  • (2R,14R,15R)-2,15-dimethyl-14-[(2R)-6-methylheptan-2-yl]-8-oxotetracyclo[8.7.0.0(2,7).0(11,15)]heptadec-6-en-5-yl acetate
  • (10R,13R,17R)-10,13-dimethyl-17-((R)-6-methylheptan-2-yl)-6-oxo-2,3,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl acetate

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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