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(Q104962416)
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English
(3R)-3beta-(3-Furanyl)-3abeta,7beta-dimethyl-1,3,3a,4,5,7abeta-hexahydroisobenzofuran-1-one
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
Isofraxinellone
1 reference
based on heuristic
inferred from SMILES
3-(furan-3-yl)-3a,7-dimethyl-3,4,5,7a-tetrahydro-2-benzofuran-1-one
1 reference
based on heuristic
inferred from SMILES
mass
232.109944372
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
(3R,3aR,7aR)-3-(furan-3-yl)-3a,7-dimethyl-3,4,5,7a-tetrahydro-2-benzofuran-1-one
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
chemical formula
C₁₄H₁₆O₃
0 references
canonical SMILES
O=C1OC(C2=COC=C2)C3(C)CCC=C(C)C13
0 references
isomeric SMILES
CC1=CCC[C@]2(C)[C@H]1C(=O)O[C@H]2c1ccoc1
0 references
found in taxon
Fagaropsis glabra
1 reference
stated in
Isofraxinellone, a limonoid lactone from the bark of Fagaropsis glabra
Dictamnus dasycarpus
1 reference
stated in
Sesquiterpene glycosides from Dictamnus dasycarpus
Identifiers
InChI
InChI=1S/C14H16O3/c1-9-4-3-6-14(2)11(9)13(15)17-12(14)10-5-7-16-8-10/h4-5,7-8,11-12H,3,6H2,1-2H3/t11-,12+,14-/m1/s1
0 references
InChIKey
CKJJQJLXFWVISP-MBNYWOFBSA-N
0 references
PubChem CID
478834
1 reference
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
UniChem compound ID
32743157
1 reference
stated in
UniChem
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