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(Q105167277)
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English
[(3aS,4S,7S,8aS)-7-methyl-3-methylidene-2-oxo-6-(3-oxobutyl)-4,7,8,8a-tetrahydro-3aH-cyclohepta[b]furan-4-yl] acetate
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
[7-methyl-3-methylidene-2-oxo-6-(3-oxobutyl)-4,7,8,8a-tetrahydro-3aH-cyclohepta[b]furan-4-yl] acetate
1 reference
based on heuristic
inferred from SMILES
mass
306.146723804
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
[(3aS,4S,7R,8aS)-7-methyl-3-methylidene-2-oxo-6-(3-oxobutyl)-4,7,8,8a-tetrahydro-3aH-cyclohepta[b]furan-4-yl] acetate
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
inuchinenolide A
1 reference
based on heuristic
inferred from InChI
[(3aS,4S,7S,8aR)-7-methyl-3-methylidene-2-oxo-6-(3-oxobutyl)-4,7,8,8a-tetrahydro-3aH-cyclohepta[b]furan-4-yl] acetate
1 reference
based on heuristic
inferred from InChI
chemical formula
C₁₇H₂₂O₅
0 references
canonical SMILES
O=C1OC2CC(C(=CC(OC(=O)C)C2C1=C)CCC(=O)C)C
0 references
isomeric SMILES
C=C1C(=O)O[C@H]2C[C@H](C)C(CCC(C)=O)=C[C@H](OC(C)=O)[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
Identifiers
InChI
InChI=1S/C17H22O5/c1-9-7-14-16(11(3)17(20)22-14)15(21-12(4)19)8-13(9)6-5-10(2)18/h8-9,14-16H,3,5-7H2,1-2,4H3/t9-,14-,15-,16-/m0/s1
0 references
InChIKey
MLXCWANLSPBFEG-JTXWPSEQSA-N
0 references
PubChem CID
162928120
1 reference
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
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