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(Q82696129)
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English
(3beta,14xi,16alpha)-16-Bromo-3-hydroxyandrost-5-en-17-one
group of stereoisomers with the chemical formula C₁₉H₂₇BrO₂
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Statements
instance of
group of stereoisomers
0 references
subclass of
chemical compound
0 references
mass
366.119442204
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₉H₂₇BrO₂
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
CC12CCC3C(CC=C4CC(O)CCC43C)C1CC(Br)C2=O
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
C[C@]12CC[C@H](O)CC1=CC[C@H]1C3C[C@@H](Br)C(=O)[C@@]3(C)CC[C@@H]12
1 reference
based on heuristic
inferred from InChI
Identifiers
InChI
InChI=1S/C19H27BrO2/c1-18-7-5-12(21)9-11(18)3-4-13-14(18)6-8-19(2)15(13)10-16(20)17(19)22/h3,12-16,21H,4-10H2,1-2H3/t12-,13+,14-,15?,16+,18-,19-/m0/s1
0 references
InChIKey
WQCCGDRKRHLVJM-RQRAQHSLSA-N
0 references
CAS Registry Number
1093-91-0
0 references
PubChem CID
71314233
1 reference
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
UniChem compound ID
24288699
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID20747223
0 references
DSSTOX compound identifier
DTXCID30697967
0 references
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