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(Q105269055)
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English
(1alpha,5alpha)-2,7,7-Trimethylbicyclo[3.1.1]hept-2-en-6alpha-ol acetate
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
cis-chrysanthenyl acetate
1 reference
based on heuristic
inferred from SMILES
mass
194.130679816
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
trans-Chrysanthenyl acetate
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
[(1R,5S,6S)-2,7,7-trimethyl-6-bicyclo[3.1.1]hept-2-enyl] acetate
1 reference
based on heuristic
inferred from InChI
chemical formula
C₁₂H₁₈O₂
0 references
canonical SMILES
O=C(OC1C2C(=CCC1C2(C)C)C)C
0 references
isomeric SMILES
CC(=O)O[C@H]1[C@@H]2CC=C(C)[C@H]1C2(C)C
0 references
found in taxon
Centipeda cunninghamii
1 reference
stated in
Occurrence of ( - )-cis-chrysanthenyl acetate in Centipeda cunninghamii
Eryngium planum
1 reference
stated in
Secondary metabolites from Eryngium species
Tanacetum parthenium
1 reference
stated in
Sesquiterpene lactones and other constituents from Tanacetum parthenium
Identifiers
InChI
InChI=1S/C12H18O2/c1-7-5-6-9-11(14-8(2)13)10(7)12(9,3)4/h5,9-11H,6H2,1-4H3/t9-,10+,11-/m0/s1
0 references
InChIKey
UASZOTVHPVEMQR-AXFHLTTASA-N
0 references
PubChem CID
91753441
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
UASZOTVHPVEMQR-AXFHLTTASA-N
UniChem compound ID
97776497
1 reference
stated in
UniChem
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