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English
16-Chloro-20-oxopregn-5-en-3-yl acetate
group of stereoisomers with the chemical formula C₂₃H₃₃ClO₃
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Statements
instance of
group of stereoisomers
0 references
subclass of
chemical compound
0 references
mass
392.211822596
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₃H₃₃ClO₃
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
CC(=O)OC1CCC2(C)C(=CCC3C2CCC2(C)C3CC(Cl)C2C(C)=O)C1
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
CC(=O)O[C@H]1CC[C@@]2(C)C(=CCC3C2CC[C@@]2(C)C3C[C@@H](Cl)[C@@H]2C(C)=O)C1
1 reference
based on heuristic
inferred from InChI
Identifiers
InChI
InChI=1S/C23H33ClO3/c1-13(25)21-20(24)12-19-17-6-5-15-11-16(27-14(2)26)7-9-22(15,3)18(17)8-10-23(19,21)4/h5,16-21H,6-12H2,1-4H3/t16-,17?,18?,19?,20+,21-,22-,23-/m0/s1
0 references
InChIKey
VEIABLNKNSOQQY-XAVZRLFQSA-N
0 references
CAS Registry Number
50678-52-9
0 references
PubChem CID
6452239
1 reference
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
UniChem compound ID
42125286
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID60964912
0 references
DSSTOX compound identifier
DTXCID901392594
0 references
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