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English
3-Hydroxy-16,17-epoxyestra-1(10),2,4-triene-17-carbonitrile
group of stereoisomers with the chemical formula C₁₉H₂₁NO₂
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Statements
instance of
group of stereoisomers
0 references
subclass of
chemical compound
0 references
mass
295.15722891200005
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₉H₂₁NO₂
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
CC12CCC3c4ccc(O)cc4CCC3C1CC1OC12C#N
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1CC1OC12C#N
1 reference
based on heuristic
inferred from InChI
Identifiers
InChI
InChI=1S/C19H21NO2/c1-18-7-6-14-13-5-3-12(21)8-11(13)2-4-15(14)16(18)9-17-19(18,10-20)22-17/h3,5,8,14-17,21H,2,4,6-7,9H2,1H3/t14-,15-,16+,17?,18+,19?/m1/s1
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InChIKey
OJFZHBKHYAWBOC-SKPQLKPYSA-N
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CAS Registry Number
100702-71-4
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PubChem CID
146961
1 reference
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
UniChem compound ID
66127915
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID10905698
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DSSTOX compound identifier
DTXCID201334800
0 references
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