Identification Common Name 3beta-Acetoxy-5-pregnene-20-one Class Small Molecule Description Contaminant Sources Cosmetic Chemicals
ToxCast & Tox21 Chemicals Contaminant Type Not Available Chemical Structure Synonyms Value Source 3beta-Hydroxypregn-5-en-20-one acetate Kegg 3b-Hydroxypregn-5-en-20-one acetate Generator 3b-Hydroxypregn-5-en-20-one acetic acid Generator 3beta-Hydroxypregn-5-en-20-one acetic acid Generator 3Β-hydroxypregn-5-en-20-one acetate Generator 3Β-hydroxypregn-5-en-20-one acetic acid Generator PREGNENOLONE acetic acid Generator [(3S,8S,9S,10R,13S,14S,17S)-17-Acetyl-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetic acid Generator (1S,2R,5S,10S,11S,14S,15S)-14-Acetyl-2,15-dimethyltetracyclo[8.7.0.0,.0,]heptadec-7-en-5-yl acetic acid Generator
Chemical Formula C23 H34 O3 Average Molecular Mass 358.522 g/mol Monoisotopic Mass 358.251 g/mol CAS Registry Number 1778-02-5 IUPAC Name (1S,3aS,3bS,7S,9aR,9bS,11aS)-1-acetyl-9a,11a-dimethyl-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-yl acetate Traditional Name pregnenolone acetate SMILES [H][C@@]1(CC[C@@]2([H])[C@]3([H])CC=C4C[C@]([H])(CC[C@]4(C)[C@@]3([H])CC[C@]12C)OC(C)=O)C(C)=O InChI Identifier InChI=1S/C23H34O3/c1-14(24)19-7-8-20-18-6-5-16-13-17(26-15(2)25)9-11-22(16,3)21(18)10-12-23(19,20)4/h5,17-21H,6-13H2,1-4H3/t17-,18-,19+,20-,21-,22-,23+/m0/s1 InChI Key CRRKVZVYZQXICQ-RJJCNJEVSA-N 
