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(Q105382661)
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English
(3aR,5aS,7R,9aR,9bS)-7,9b-dimethyl-3,3a,5a,6,7,8,9,9a-octahydrobenzo[g][2]benzofuran-1-one
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
7,9b-dimethyl-3H,3aH,5aH,6H,7H,8H,9H,9aH-naphtho[1,2-c]furan-1-one
1 reference
based on heuristic
inferred from SMILES
mass
220.14632988
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
Oblongolide
1 reference
based on heuristic
inferred from InChI
chemical formula
C₁₄H₂₀O₂
0 references
canonical SMILES
O=C1OCC2C=CC3CC(C)CCC3C12C
0 references
isomeric SMILES
C[C@@H]1CC[C@@H]2[C@H](C=C[C@H]3COC(=O)[C@]32C)C1
0 references
found in taxon
Phomopsis velata
2 references
stated in
Metabolic products of Phomopsis oblonga. Part 1. 3a,5a,6,7,8,9,9a,9b-Octahydro-7,9b-dimethylnaphtho[1,2-c]furan-1(3H)-one (oblongolide)
stated in
Elm bark beetle boring and feeding deterrents from Phomopsis oblonga
Identifiers
InChI
InChI=1S/C14H20O2/c1-9-3-6-12-10(7-9)4-5-11-8-16-13(15)14(11,12)2/h4-5,9-12H,3,6-8H2,1-2H3/t9-,10-,11+,12-,14-/m1/s1
0 references
InChIKey
ZSRQNNNSHRCNQE-YGEZULPYSA-N
0 references
PubChem CID
75528817
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
ZSRQNNNSHRCNQE-YGEZULPYSA-N
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