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(Q82907957)
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English
17-Hydroxy-6-methylpregn-4-ene-3,20-dionato
group of stereoisomers with the chemical formula C₂₂H₃₂O₃
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Statements
instance of
group of stereoisomers
0 references
subclass of
chemical compound
0 references
mass
344.23514488399996
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₂H₃₂O₃
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
CC(=O)C1(O)CCC2C3CC(C)C4=CC(=O)CCC4(C)C3CCC21C
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
CC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CC(C)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C
1 reference
based on heuristic
inferred from InChI
Identifiers
InChI
InChI=1S/C22H32O3/c1-13-11-16-17(20(3)8-5-15(24)12-19(13)20)6-9-21(4)18(16)7-10-22(21,25)14(2)23/h12-13,16-18,25H,5-11H2,1-4H3/t13?,16-,17+,18+,20-,21+,22+/m1/s1
0 references
InChIKey
FRQMUZJSZHZSGN-NJMUXRGYSA-N
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CAS Registry Number
14423-24-6
0 references
PubChem CID
203441
1 reference
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
UniChem compound ID
27138102
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID20932273
0 references
DSSTOX compound identifier
DTXCID501360967
0 references
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