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Reference substances

Reference substances

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General information

Inventory

EC number:
200-554-5
EC name:
Androst-4-ene-3,17-dione
CAS number:
63-05-8

No inventory information available

Reference substance information

IUPAC name:
(3aS,3bR,9aR,9bS,11aS)-9a,11a-dimethyl-1H,2H,3H,3aH,3bH,4H,5H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthrene-1,7-dione
Synonyms
Names:
Identifier:
CAS number
63-05-8
Identifier:
IUPAC name
4-androstene-3,17-dione
Identifier:
other: InChl
1/C19H26O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h11,14-16H,3-10H2,1-2H3/t14-,15-,16-,8-,19-/m0/s1
androst-4-ene-3,17-dione

CAS information

CAS number:
63-05-8

Molecular and structural information

Molecular formula:
C19H26O2
Molecular weight:
286.409
SMILES notation:
C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CCC2=O
InChl:
InChI=1/C19H26O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h11,14-16H,3-10H2,1-2H3
Structural formula:
Chemical structure