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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.

The new ECHA CHEM database has been released by ECHA, and it now contains all REACH registration data. There are more details on the transition of ECHA's published data to ECHA CHEM here.

Diss Factsheets

Reference substances

Reference substances

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

Inventory

EC number:
217-541-5
EC name:
17-α-hydroxypregn-4-ene-3,11,20-trione
CAS number:
1882-82-2
CAS number:
1882-82-2
Synonyms
Names:
17-alpha-hydroxypregn-4-ene-3,11,20-trione
17-hydroxypregn-4-ene-3,11,20-trione

Molecular and structural information

Molecular formula:
C21H28O4
Molecular weight:
344.445
SMILES notation:
CC(=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/C21H28O4/c1-12(22)21(25)9-7-16-15-5-4-13-10-14(23)6-8-19(13,2)18(15)17(24)11-20(16,21)3/h10,15-16,18,25H,4-9,11H2,1-3H3
Structural formula:
Chemical structure

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