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(Q82993611)
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English
9-Fluoro-17,21-dihydroxypregn-4-ene-3,11,20-trione
group of stereoisomers with the chemical formula C₂₁H₂₇FO₅
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Statements
instance of
group of stereoisomers
0 references
subclass of
chemical compound
0 references
mass
378.184252184
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₁H₂₇FO₅
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
CC12CCC(=O)C=C1CCC1C3CCC(O)(C(=O)CO)C3(C)CC(=O)C12F
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
C[C@]12CCC(=O)C=C1CC[C@H]1[C@@H]3CC[C@](O)(C(=O)CO)[C@@]3(C)CC(=O)C12F
1 reference
based on heuristic
inferred from InChI
Identifiers
InChI
InChI=1S/C21H27FO5/c1-18-7-5-13(24)9-12(18)3-4-15-14-6-8-20(27,17(26)11-23)19(14,2)10-16(25)21(15,18)22/h9,14-15,23,27H,3-8,10-11H2,1-2H3/t14-,15-,18-,19-,20-,21?/m0/s1
0 references
InChIKey
BHDHELFREODRJK-LKNKEJRYSA-N
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CAS Registry Number
79-60-7
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PubChem CID
3033949
1 reference
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
UniChem compound ID
27529286
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID101000179
0 references
DSSTOX compound identifier
DTXCID401427146
0 references
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