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(Q105342712)
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English
(3aR,5aR,9aS,9bS)-5a-methyl-3,9-dimethylidene-3a,4,5,6,7,8,9a,9b-octahydrobenzo[g][1]benzofuran-2-one
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
eudesmane sesquiterpenoid
0 references
mass
232.14632988
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
(3aR,5aS,9aR,9bS)-5a-methyl-3,9-dimethylidene-3a,4,5,6,7,8,9a,9b-octahydrobenzo[g][1]benzofuran-2-one
1 reference
based on heuristic
inferred from InChIKey
beta-Cyclocostunolide
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
β-cyclocostunolide
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
(3aS,5aR,9aS,9bR)-5a-methyl-3,9-dimethylidene-3a,4,5,6,7,8,9a,9b-octahydrobenzo[g][1]benzofuran-2-one
1 reference
based on heuristic
inferred from InChI
chemical formula
C₁₅H₂₀O₂
0 references
canonical SMILES
O=C1OC2C(C1=C)CCC3(C)CCCC(=C)C23
0 references
isomeric SMILES
C=C1C(=O)O[C@H]2[C@@H]1CC[C@@]1(C)CCCC(=C)[C@H]21
0 references
found in taxon
Frullania dilatata
1 reference
stated in
Rearranged ent-eudesmane- and ent-eremophilane-type sesquiterpenoids from the liverwort Frullania dilatata
Identifiers
InChI
InChI=1S/C15H20O2/c1-9-5-4-7-15(3)8-6-11-10(2)14(16)17-13(11)12(9)15/h11-13H,1-2,4-8H2,3H3/t11-,12-,13+,15-/m1/s1
0 references
InChIKey
XUYAKPXYKQEFPD-GUIRCDHDSA-N
0 references
PubChem CID
12305398
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
XUYAKPXYKQEFPD-GUIRCDHDSA-N
UniChem compound ID
96695364
1 reference
stated in
UniChem
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