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English
3-Oxo-2-(trifluoroacetyl)androstan-17-yl acetate
chemical compound
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Statements
instance of
group of stereoisomers
0 references
subclass of
chemical compound
0 references
mass
428.217444132
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₃H₃₁F₃O₄
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
CC(=O)OC1CCC2C3CCC4CC(=O)C(C(=O)C(F)(F)F)CC4(C)C3CCC12C
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
CC(=O)O[C@H]1CC[C@H]2[C@@H]3CC[C@H]4CC(=O)C(C(=O)C(F)(F)F)C[C@]4(C)[C@H]3CC[C@]12C
1 reference
based on heuristic
inferred from InChI
Identifiers
InChI
InChI=1S/C23H31F3O4/c1-12(27)30-19-7-6-16-14-5-4-13-10-18(28)15(20(29)23(24,25)26)11-22(13,3)17(14)8-9-21(16,19)2/h13-17,19H,4-11H2,1-3H3/t13-,14-,15?,16-,17-,19-,21-,22-/m0/s1
0 references
InChIKey
DEMBSTKGTUKIOV-KTCKLSTMSA-N
0 references
CAS Registry Number
1880-36-0
0 references
PubChem CID
243891
1 reference
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
UniChem compound ID
57852101
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID80940278
0 references
DSSTOX compound identifier
DTXCID901368749
0 references
NSC number
54119
0 references
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