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English
3-Oxoandrost-4-en-17-yl bromoacetate
group of stereoisomers with the chemical formula C₂₁H₂₉BrO₃
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Statements
instance of
group of stereoisomers
0 references
subclass of
chemical compound
0 references
mass
408.130006888
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₁H₂₉BrO₃
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
CC12CCC(=O)C=C1CCC1C2CCC2(C)C(OC(=O)CBr)CCC12
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2CC[C@]2(C)C(OC(=O)CBr)CC[C@@H]12
1 reference
based on heuristic
inferred from InChI
Identifiers
InChI
InChI=1S/C21H29BrO3/c1-20-9-7-14(23)11-13(20)3-4-15-16-5-6-18(25-19(24)12-22)21(16,2)10-8-17(15)20/h11,15-18H,3-10,12H2,1-2H3/t15-,16-,17-,18?,20-,21-/m0/s1
0 references
InChIKey
PALQPHIJBDKABO-RVPRXVRWSA-N
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CAS Registry Number
4588-81-2
0 references
PubChem CID
151219
1 reference
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
UniChem compound ID
58599125
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID50963454
0 references
DSSTOX compound identifier
DTXCID301391205
0 references
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