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English
17-Hydroxy- 13alpha-Pregn-4-en-20-yn-3-one
chemical compound
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No label defined
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Statements
instance of
type of chemical entity
0 references
subclass of
pregnane steroid
1 reference
based on heuristic
inferred from SMILES
mass
312.208930136
dalton
1 reference
based on heuristic
inferred from isomeric SMILES
stereoisomer of
ethisterone
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
(13alpha,17alpha)-17-Hydroxypregn-4-en-20-yn-3-one
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
chemical formula
C₂₁H₂₈O₂
0 references
canonical SMILES
C#CC1(O)CCC2C3CCC4=CC(=O)CCC4(C)C3CCC21C
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2CC[C@@]4([C@H]3CC[C@@]4(C#C)O)C
0 references
Identifiers
InChI
InChI=1S/C21H28O2/c1-4-21(23)12-9-18-16-6-5-14-13-15(22)7-10-19(14,2)17(16)8-11-20(18,21)3/h1,13,16-18,23H,5-12H2,2-3H3/t16-,17+,18+,19+,20-,21-/m1/s1
0 references
InChIKey
CHNXZKVNWQUJIB-ZZAJFKAYSA-N
0 references
CAS Registry Number
17554-63-1
0 references
PubChem CID
121232964
1 reference
matched by identifier from
InChIKey
InChIKey
CHNXZKVNWQUJIB-ZZAJFKAYSA-N
UniChem compound ID
147692294
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID90872470
1 reference
matched by identifier from
InChIKey
InChIKey
CHNXZKVNWQUJIB-ZZAJFKAYSA-N
DSSTOX compound identifier
DTXCID80820127
0 references
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