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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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:
(3aS,3bR,7S,9aR,9bS,11aS)-1-acetyl-9a,11a-dimethyl-3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-yl acetate

Inventory

EC number:
213-558-7
EC name:
20-oxopregna-5,16-dien-3-β-yl acetate
CAS number:
979-02-2
CAS number:
979-02-2
Synonyms
Names:
Identifier:
IUPAC name
20-oxopregna-5,16-dien-3-β-yl acetate
20-oxopregna-5,16-dien-3-yl acetate

Molecular and structural information

Molecular formula:
C23H32O3
Molecular weight:
356.498
SMILES notation:
CC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CC=C4C(=O)C)[C@@H]3CC=C2C1
InChl:
InChI=1/C23H32O3/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/h5,7,17-18,20-21H,6,8-13H2,1-4H3
Structural formula:
Chemical structure

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