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(Q105282155)
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English
4-(2,6,6-trimethylcyclohex-2-en-1-yl)but-3-en-2-one
group of stereoisomers with the chemical formula C₁₃H₂₀O
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Statements
instance of
group of stereoisomers
0 references
subclass of
megastigmane
1 reference
inferred from
megastigmane
mass
192.15141526
dalton
1 reference
based on heuristic
inferred from InChI
chemical formula
C₁₃H₂₀O
0 references
canonical SMILES
O=C(C=CC1C(=CCCC1(C)C)C)C
0 references
Identifiers
InChI
InChI=1S/C13H20O/c1-10-6-5-9-13(3,4)12(10)8-7-11(2)14/h6-8,12H,5,9H2,1-4H3
0 references
InChIKey
UZFLPKAIBPNNCA-UHFFFAOYSA-N
0 references
CAS Registry Number
31798-12-6
1 reference
stated in
CAS (formerly Chemical Abstracts Service)
retrieved
25 January 2022
6901-97-9
1 reference
stated in
CAS (formerly Chemical Abstracts Service)
retrieved
25 January 2022
PubChem CID
24680
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
UZFLPKAIBPNNCA-UHFFFAOYSA-N
UniChem compound ID
26268085
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID7044477
1 reference
matched by identifier from
InChIKey
InChIKey
UZFLPKAIBPNNCA-UHFFFAOYSA-N
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