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(Q82236545)
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English
delta(Sup4)-Androstene-3,17-dione
group of stereoisomers with the chemical formula C₁₉H₂₆O₂
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Statements
instance of
group of stereoisomers
0 references
subclass of
chemical compound
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mass
286.193280072
dalton
1 reference
based on heuristic
inferred from isomeric SMILES
chemical formula
C₁₉H₂₆O₂
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canonical SMILES
O=C1C=C2CCC3C4CCC(=O)C4(C)CCC3C2(C)CC1
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isomeric SMILES
C[C@]12CCC3C(CCC4=CC(=O)CC[C@@]43C)C1CCC2=O
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Identifiers
InChI
InChI=1S/C19H26O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h11,14-16H,3-10H2,1-2H3/t14?,15?,16?,18-,19-/m0/s1
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InChIKey
AEMFNILZOJDQLW-WFZCBACDSA-N
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CAS Registry Number
897039-79-1
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PubChem CID
6432604
1 reference
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
UniChem compound ID
25949481
1 reference
stated in
UniChem
MassBank accession ID
MSBNK-PFOS_research_group-FFF00258
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MSBNK-PFOS_research_group-FFF00259
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MSBNK-PFOS_research_group-FFF00260
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MSBNK-PFOS_research_group-FFF00261
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MSBNK-PFOS_research_group-FFF00262
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MSBNK-PFOS_research_group-FFF00263
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MSBNK-PFOS_research_group-FFF00264
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DSSTox substance ID
DTXSID40424100
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DSSTOX compound identifier
DTXCID80374938
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