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(Q82902416)
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English
17-Cyano-3-oxoandrost-4-en-17-yl ethyl carbonate
group of stereoisomers with the chemical formula C₂₃H₃₁NO₄
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Statements
instance of
group of stereoisomers
0 references
subclass of
chemical compound
0 references
mass
385.225308472
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₃H₃₁NO₄
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
CCOC(=O)OC1(C#N)CCC2C3CCC4=CC(=O)CCC4(C)C3CCC21C
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
CCOC(=O)OC1(C#N)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C
1 reference
based on heuristic
inferred from InChI
Identifiers
InChI
InChI=1S/C23H31NO4/c1-4-27-20(26)28-23(14-24)12-9-19-17-6-5-15-13-16(25)7-10-21(15,2)18(17)8-11-22(19,23)3/h13,17-19H,4-12H2,1-3H3/t17-,18+,19+,21+,22+,23?/m1/s1
0 references
InChIKey
ZVAOAJHHLVZEAV-UCPDIXLFSA-N
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CAS Registry Number
132639-68-0
0 references
PubChem CID
131533
1 reference
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
UniChem compound ID
49857651
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID90927757
0 references
DSSTOX compound identifier
DTXCID201356539
0 references
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