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(Q105216304)
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English
(3aS,5S,8aR,9aR)-5,8a-dimethyl-3-methylidene-5,6,7,8,9,9a-hexahydro-3aH-benzo[f][1]benzofuran-2-one
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
alantolactone
1 reference
based on heuristic
inferred from SMILES
mass
232.14632988
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
(3aR,5R,8aR,9aR)-5,8a-dimethyl-3-methylidene-5,6,7,8,9,9a-hexahydro-3aH-benzo[f][1]benzofuran-2-one
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
alantolactone
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
chemical formula
C₁₅H₂₀O₂
0 references
canonical SMILES
O=C1OC2CC3(C(=CC2C1=C)C(C)CCC3)C
0 references
isomeric SMILES
C=C1C(=O)O[C@@H]2C[C@@]3(C)CCC[C@H](C)C3=C[C@@H]12
0 references
found in taxon
Klasea latifolia
1 reference
stated in
Sesquiterpene lactones from Serratula latifolia
Identifiers
InChI
InChI=1S/C15H20O2/c1-9-5-4-6-15(3)8-13-11(7-12(9)15)10(2)14(16)17-13/h7,9,11,13H,2,4-6,8H2,1,3H3/t9-,11-,13+,15+/m0/s1
0 references
InChIKey
PXOYOCNNSUAQNS-SQWGHXPGSA-N
0 references
PubChem CID
7375373
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
PXOYOCNNSUAQNS-SQWGHXPGSA-N
UniChem compound ID
12964467
1 reference
stated in
UniChem
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