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(Q82853289)
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English
3,11,20-Trioxopregna-1,4,16-trien-21-yl acetate
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
pregnane steroid
1 reference
based on heuristic
inferred from SMILES
mass
382.178023932
dalton
1 reference
based on heuristic
inferred from isomeric SMILES
chemical formula
C₂₃H₂₆O₅
0 references
canonical SMILES
CC(=O)OCC(=O)C1=CCC2C3CCC4=CC(=O)C=CC4(C)C3C(=O)CC12C
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
CC(=O)OCC(=O)C1=CC[C@@H]2[C@@]1(CC(=O)[C@H]3[C@H]2CCC4=CC(=O)C=C[C@]34C)C
0 references
Identifiers
InChI
InChI=1S/C23H26O5/c1-13(24)28-12-20(27)18-7-6-17-16-5-4-14-10-15(25)8-9-22(14,2)21(16)19(26)11-23(17,18)3/h7-10,16-17,21H,4-6,11-12H2,1-3H3/t16-,17-,21+,22-,23-/m0/s1
0 references
InChIKey
OZYMSQQCILMWFF-YTQSOXLISA-N
0 references
CAS Registry Number
82423-35-6
0 references
PubChem CID
71749276
1 reference
matched by identifier from
InChIKey
InChIKey
OZYMSQQCILMWFF-YTQSOXLISA-N
UniChem compound ID
69542931
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID50857829
1 reference
matched by identifier from
InChIKey
InChIKey
OZYMSQQCILMWFF-YTQSOXLISA-N
DSSTOX compound identifier
DTXCID70808570
0 references
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