Registration Dossier

Diss Factsheets

Reference substances

Reference substances

IUPAC name:
(1R,3aS,3bR,9aR,9bS,11aS)-1-ethynyl-1-hydroxy-9a,11a-dimethyl-1H,2H,3H,3aH,3bH,4H,5H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-one

Inventory

EC number:
207-096-5
EC name:
Ethisterone
CAS number:
434-03-7
CAS number:
434-03-7
Synonyms
Names:
ethisterone
17-hydroxypregn-4-en-20-yn-3-one

Molecular and structural information

Molecular formula:
C21H28O2
Molecular weight:
312.446
SMILES notation:
C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2CC[C@@]4(C)[C@H]3CC[C@@]4(O)C#C
InChl:
InChI=1/C21H28O2/c1-4-21(23)12-9-18-16-6-5-14-13-15(22)7-10-19(14,2)17(16)8-11-20(18,21)3/h1,13,16-18,23H,5-12H2,2-3H3
Structural formula:
Chemical structure

Related substances