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(Q105174351)
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English
2-[(2R,4aS,8aR)-4a,8-dimethyl-6-oxo-1,2,3,4,5,8a-hexahydronaphthalen-2-yl]prop-2-enoic acid
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
2-(4a,8-dimethyl-6-oxo-1,2,3,4,5,8a-hexahydronaphthalen-2-yl)prop-2-enoic acid
1 reference
based on heuristic
inferred from SMILES
mass
248.1412445
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₅H₂₀O₃
0 references
canonical SMILES
O=C(O)C(=C)C1CCC2(C)CC(=O)C=C(C)C2C1
0 references
isomeric SMILES
C=C(C(=O)O)[C@@H]1CC[C@@]2(C)CC(=O)C=C(C)[C@@H]2C1
0 references
found in taxon
Aster himalaicus
1 reference
stated in
Eudesmane sesquiterpenes and other constituents from Aster himalaicus
Dittrichia viscosa
1 reference
stated in
Further sesquiterpene lactones from the genus Dittrichia
Schistostephium crataegifolium
1 reference
stated in
Sesquiterpene lactones and other constituents from Schistostephium species
Stevia achalensis
1 reference
stated in
Neue Sesquiterpenlactone und andere Inhaltsstoffe ausStevia mercedensis undStevia achalensis
Identifiers
InChI
InChI=1S/C15H20O3/c1-9-6-12(16)8-15(3)5-4-11(7-13(9)15)10(2)14(17)18/h6,11,13H,2,4-5,7-8H2,1,3H3,(H,17,18)/t11-,13+,15+/m1/s1
0 references
InChIKey
MXMPLGVCLCXRPF-ZLDLUXBVSA-N
0 references
PubChem CID
26087990
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
MXMPLGVCLCXRPF-ZLDLUXBVSA-N
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