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(Q104910424)
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English
(4aR,5R,8aR,9aR)-3,4a,5-trimethyl-4,5,6,7,8,8a,9,9a-octahydrobenzo[f][1]benzofuran-2-one
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
3,4a,5-Trimethyl-4,5,6,7,8,8a,9,9a-octahydrobenzo[f][1]benzofuran-2-one
1 reference
based on heuristic
inferred from SMILES
mass
234.161979944
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
Tetrahydroligularenolide
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
Eremophilenolide
1 reference
based on heuristic
inferred from InChI
chemical formula
C₁₅H₂₂O₂
0 references
canonical SMILES
O=C1OC2C(=C1C)CC3(C)C(C)CCCC3C2
0 references
isomeric SMILES
CC1=C2C[C@]3(C)[C@H](C)CCC[C@@H]3C[C@H]2OC1=O
0 references
found in taxon
Petasites hybridus
1 reference
stated in
Plant substances. XVI. The constituents of coltsfoot rhizomes (Petasites officinalis MOENCH.)
Identifiers
InChI
InChI=1S/C15H22O2/c1-9-5-4-6-11-7-13-12(8-15(9,11)3)10(2)14(16)17-13/h9,11,13H,4-8H2,1-3H3/t9-,11-,13-,15-/m1/s1
0 references
InChIKey
AEQDXSFIHGWHDV-ZTYOMDHBSA-N
0 references
PubChem CID
162983895
1 reference
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
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