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(Q105307496)
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English
2-Acetyl-3abeta,4beta-dimethyl-3a,4,5,6,7,7abeta-hexahydro-1H-indene
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
1-(3a,4-dimethyl-1,4,5,6,7,7a-hexahydroinden-2-yl)ethanone
1 reference
based on heuristic
inferred from SMILES
mass
192.15141526
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₃H₂₀O
0 references
canonical SMILES
O=C(C1=CC2(C)C(C)CCCC2C1)C
0 references
isomeric SMILES
CC(=O)C1=C[C@]2(C)[C@@H](C)CCC[C@@H]2C1
0 references
found in taxon
Ligularia lamarum
1 reference
stated in
Overlapping chemical and genetic diversity in Ligularia lamarum and Ligularia subspicata. Isolation of ten new eremophilanes and a new seco-bakkane compound
Ligularia vellerea
1 reference
stated in
Chemical and genetic diversity of Ligularia vellerea in Yunnan, China
Ligularia virgaurea
1 reference
stated in
Chemical constituents of Ligularia virgaurea and its diversity in southwestern Sichuan of China
Identifiers
InChI
InChI=1S/C13H20O/c1-9-5-4-6-12-7-11(10(2)14)8-13(9,12)3/h8-9,12H,4-7H2,1-3H3/t9-,12+,13+/m0/s1
0 references
InChIKey
WKNLFMXMEHMEGH-ZWKOPEQDSA-N
0 references
PubChem CID
101380771
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
WKNLFMXMEHMEGH-ZWKOPEQDSA-N
UniChem compound ID
100887966
1 reference
stated in
UniChem
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