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Reference substances

Reference substances

IUPAC name:
estr-4-ene-3,17-dione

Inventory

EC number:
211-995-8
EC name:
Estr-4-ene-3,17-dione
CAS number:
734-32-7
CAS number:
734-32-7
Synonyms
Names:
estr-4-ene-3,17-dione
Identifier:
IUPAC name
estr-4-ene-3,17-dione
Identifier:
PubChem
19-Norandrost-4-ene-3,17-dione
Identifier:
PubChem
Estr-4-ene-3,17-dione
Identifier:
PubChem
delta4-Estrene-3,17-dione
Identifier:
other: SMILES notation
C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@H]34)[C@@H]1CCC2=O
Identifier:
other: InChl
InChI=1/C18H24O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h10,13-16H,2-9H2,1H3
(8R,9S,10R,13S,14S)-13-methyl-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthrene-3,17-dione

Molecular and structural information

Molecular formula:
C18H24O2
Molecular weight:
ca. 272.4
SMILES notation:
CC12CCC3C(C1CCC2=O)CCC4=CC(=O)CCC34
InChl:
InChI=1S/C18H24O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h10,13-16H,2-9H2,1H3/t13-,14+,15+,16-,18-/m0/s1
Structural formula:
Chemical structure

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