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(Q105285353)
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English
[(3R,5Z,7E,13E)-3-acetyloxypentadeca-5,7,13-trien-9,11-diynyl] acetate
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
3-Acetyloxypentadeca-5,7,13-trien-9,11-diynyl acetate
1 reference
based on heuristic
inferred from SMILES
mass
314.151809184
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
[(3R)-3-acetyloxypentadeca-5,7,13-trien-9,11-diynyl] acetate
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
[(3R,5E,7E,13E)-3-acetyloxypentadeca-5,7,13-trien-9,11-diynyl] acetate
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
chemical formula
C₁₉H₂₂O₄
0 references
canonical SMILES
O=C(OCCC(OC(=O)C)CC=CC=CC#CC#CC=CC)C
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isomeric SMILES
C/C=C/C#CC#C/C=C/C=C\C[C@H](CCOC(C)=O)OC(C)=O
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found in taxon
Centaurea cyanus
1 reference
stated in
On Polyenic and Polyynic Compounds in Centaurea cyanus L.
Centaurea macrocephala
1 reference
stated in
Polyacetylenverbindungen, XXIII. Konstitution und Lichtabsorption symmetrischer und unsymmetrischer Polyin-ene sowie Synthese eines Kohlenwasserstoffs ausCentaurea-Arten
Identifiers
InChI
InChI=1S/C19H22O4/c1-4-5-6-7-8-9-10-11-12-13-14-19(23-18(3)21)15-16-22-17(2)20/h4-5,10-13,19H,14-16H2,1-3H3/b5-4+,11-10+,13-12-/t19-/m1/s1
0 references
InChIKey
VFLBRKFVSDXIMN-CXUKQVBBSA-N
0 references
PubChem CID
163190052
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
VFLBRKFVSDXIMN-CXUKQVBBSA-N
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