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English
16-Ethyl-21-fluoro-19-norpregn-4-ene-3,20-dione
group of stereoisomers with the chemical formula C₂₂H₃₁FO₂
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Statements
instance of
group of stereoisomers
0 references
subclass of
chemical compound
0 references
mass
346.230808452
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₂H₃₁FO₂
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
CCC1CC2C3CCC4=CC(=O)CCC4C3CCC2(C)C1C(=O)CF
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
CCC1C[C@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC[C@]2(C)[C@H]1C(=O)CF
1 reference
based on heuristic
inferred from InChI
Identifiers
InChI
InChI=1S/C22H31FO2/c1-3-13-11-19-18-6-4-14-10-15(24)5-7-16(14)17(18)8-9-22(19,2)21(13)20(25)12-23/h10,13,16-19,21H,3-9,11-12H2,1-2H3/t13?,16-,17+,18+,19-,21+,22-/m0/s1
0 references
InChIKey
XVMNSRXVKUOGOY-PPBDDGJCSA-N
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CAS Registry Number
25908-76-3
0 references
PubChem CID
152811
1 reference
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
UniChem compound ID
62467453
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID20948814
0 references
DSSTOX compound identifier
DTXCID401377028
0 references
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