Registration Dossier

Reference substances

Reference substances

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

Inventory

EC number:
200-006-5
EC name:
Cortisone 21-acetate
CAS number:
50-04-4
CAS number:
50-04-4
Synonyms
Names:
Cortisone acetate
Pregn-4-ene-3,11,20-trione, 21-(acetyloxy)-17-hydroxy-
17-hydroxy-3,11,20-trioxopregn-4-en-21-yl acetate

Molecular and structural information

Molecular formula:
C23H30O6
Molecular weight:
402.481
SMILES notation:
CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3C(=O)C[C@]12C
InChl:
InChI=1/C23H30O6/c1-13(24)29-12-19(27)23(28)9-7-17-16-5-4-14-10-15(25)6-8-21(14,2)20(16)18(26)11-22(17,23)3/h10,16-17,20,28H,4-9,11-12H2,1-3H3
Structural formula:
Chemical structure

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