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(Q105252188)
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English
(2Z,8E,10E,14R)-14-Acetoxy-2,8,10-heptadecatriene-4,6-diyne-1-ol
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
Acetylbupleurotoxin
1 reference
based on heuristic
inferred from SMILES
mass
300.172544628
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
[(4R,7E,9E)-17-hydroxyheptadeca-7,9,15-trien-11,13-diyn-4-yl] acetate
1 reference
based on heuristic
inferred from InChI
chemical formula
C₁₉H₂₄O₃
0 references
canonical SMILES
O=C(OC(CCC=CC=CC#CC#CC=CCO)CCC)C
0 references
isomeric SMILES
CCC[C@H](CC/C=C/C=C/C#CC#C/C=C\CO)OC(C)=O
0 references
found in taxon
Bupleurum longiradiatum
1 reference
stated in
Polyacetylenes from Bupleurum longiradiatum
Identifiers
InChI
InChI=1S/C19H24O3/c1-3-15-19(22-18(2)21)16-13-11-9-7-5-4-6-8-10-12-14-17-20/h5,7,9,11-12,14,19-20H,3,13,15-17H2,1-2H3/b7-5+,11-9+,14-12-/t19-/m1/s1
0 references
InChIKey
SFZVRHWQKJMBGD-VSXZLIJLSA-N
0 references
PubChem CID
44613555
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
SFZVRHWQKJMBGD-VSXZLIJLSA-N
UniChem compound ID
510294
1 reference
stated in
UniChem
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