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(Q105200752)
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English
(3aR,4aS,7S,8aR,9aS)-7-hydroxy-8a-methyl-3,5-dimethylidene-3a,4,4a,6,7,8,9,9a-octahydrobenzo[f][1]benzofuran-2-one
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
Naphtho[2,3-b]furan-2(3H)-one, decahydro-7-hydroxy-8a-methyl-3,5-dimethylene-
1 reference
based on heuristic
inferred from SMILES
mass
248.1412445
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
(3aS,4aR,7R,8aS,9aS)-7-hydroxy-8a-methyl-3,5-dimethylidene-3a,4,4a,6,7,8,9,9a-octahydrobenzo[f][1]benzofuran-2-one
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
Ivalin
1 reference
based on heuristic
inferred from InChI
chemical formula
C₁₅H₂₀O₃
0 references
canonical SMILES
O=C1OC2CC3(C)CC(O)CC(=C)C3CC2C1=C
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isomeric SMILES
C=C1C(=O)O[C@H]2C[C@@]3(C)C[C@@H](O)CC(=C)[C@@H]3C[C@H]12
0 references
found in taxon
Inula britannica
1 reference
stated in
Seven sesquiterpene lactones from Inula britannica var. chinensis
Pentanema britannicum
1 reference
stated in
Seven sesquiterpene lactones from Inula britannica var. chinensis
Klasea latifolia
1 reference
stated in
Sesquiterpene lactones from Serratula latifolia
Identifiers
InChI
InChI=1S/C15H20O3/c1-8-4-10(16)6-15(3)7-13-11(5-12(8)15)9(2)14(17)18-13/h10-13,16H,1-2,4-7H2,3H3/t10-,11+,12-,13-,15+/m0/s1
0 references
InChIKey
OVIILQQKQPCQTF-WHRXGGIHSA-N
0 references
PubChem CID
162931232
1 reference
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
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