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(Q105142888)
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English
(3R,3aS,6E,10R,11aR)-3,6,10-trimethyl-3,3a,4,5,8,10,11,11a-octahydrocyclodeca[b]furan-2,9-dione
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
3,6,10-trimethyl-3H,3aH,4H,5H,8H,10H,11H,11aH-cyclodeca[b]furan-2,9-dione
1 reference
based on heuristic
inferred from SMILES
mass
250.156894564
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
ketopelenolide a
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
(3R,3aR,6E,10R,11aR)-3,6,10-trimethyl-3,3a,4,5,8,10,11,11a-octahydrocyclodeca[b]furan-2,9-dione
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
ketopelenolide a
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
(3S,3aR,6E,10S,11aS)-3,6,10-trimethyl-3,3a,4,5,8,10,11,11a-octahydrocyclodeca[b]furan-2,9-dione
1 reference
based on heuristic
inferred from InChI
Ketopelenolide b
1 reference
based on heuristic
inferred from InChI
chemical formula
C₁₅H₂₂O₃
0 references
canonical SMILES
O=C1OC2CC(C(=O)CC=C(C)CCC2C1C)C
0 references
isomeric SMILES
C/C1=C\CC(=O)[C@H](C)C[C@H]2OC(=O)[C@H](C)[C@@H]2CC1
0 references
found in taxon
Ajania fruticulosa
1 reference
stated in
Ajanolide A, a new germacranolide fromAjania fruticulosa
Artemisia absinthium
2 references
stated in
Über terpene LXX. Monocyclische lactone aus wermut (Artemisia absinthium L.)
stated in
Über pflanzenstoffe V. Die isolierung von weiteren kristallinen substanzen aus wermut (Artemisia absinthium L.)
Identifiers
InChI
InChI=1S/C15H22O3/c1-9-4-6-12-11(3)15(17)18-14(12)8-10(2)13(16)7-5-9/h5,10-12,14H,4,6-8H2,1-3H3/b9-5+/t10-,11-,12+,14-/m1/s1
0 references
InChIKey
KLZWSNKEPLKAOS-GPPZHFKYSA-N
0 references
PubChem CID
163003865
1 reference
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
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