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English
4-[(1R,3R,5S,8R)-3-hydroxy-1,5-dimethyl-6-oxabicyclo[3.2.1]octan-8-yl]butan-2-one
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
4-[(3S,5R,8R)-3-hydroxy-1,5-dimethyl-6-oxabicyclo[3.2.1]octan-8-yl]butan-2-one
1 reference
based on heuristic
inferred from SMILES
4-(3-Hydroxy-1,5-dimethyl-6-oxabicyclo[3.2.1]octan-8-yl)butan-2-one
1 reference
based on heuristic
inferred from SMILES
mass
226.156894564
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
4-[(1S,3S,5R,8R)-1,5-Dimethyl-3-hydroxy-6-oxabicyclo[3.2.1]octane-8-yl]-2-butanone
1 reference
based on heuristic
inferred from InChI
chemical formula
C₁₃H₂₂O₃
0 references
canonical SMILES
O=C(C)CCC1C2(OCC1(C)CC(O)C2)C
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isomeric SMILES
CC(=O)CC[C@H]1[C@]2(C)C[C@H](O)C[C@@]1(C)CO2
0 references
found in taxon
Macaranga tanarius
1 reference
stated in
Constituents of the leaves of Macaranga tanarius
Identifiers
InChI
InChI=1S/C13H22O3/c1-9(14)4-5-11-12(2)6-10(15)7-13(11,3)16-8-12/h10-11,15H,4-8H2,1-3H3/t10-,11-,12+,13+/m1/s1
0 references
InChIKey
BDHDHTHQHMXIDO-NDBYEHHHSA-N
0 references
PubChem CID
11424667
1 reference
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
UniChem compound ID
34261716
1 reference
stated in
UniChem
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