(Q104989099)

English

(14E,16E)-18-(acetyloxy)octadeca-9,14,16-trien-12-yn-1-yl acetate

chemical compound

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Statements

type of chemical entity

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biogenic acyclic ester

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360.230059504 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₂H₃₂O₄

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canonical SMILES

O=C(OCC=CC=CC#CCC=CCCCCCCCCOC(=O)C)C

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isomeric SMILES

CC(=O)OC/C=C/C=C/C#CCC=CCCCCCCCCOC(C)=O

1 reference

based on heuristic

inferred from InChI

Bupleurum longiradiatum

1 reference

Polyacetylenes from Bupleurum longiradiatum

Identifiers

InChI=1S/C22H32O4/c1-21(23)25-19-17-15-13-11-9-7-5-3-4-6-8-10-12-14-16-18-20-26-22(2)24/h3-4,12,14,16,18H,5-7,9,11,13,15,17,19-20H2,1-2H3/b4-3?,14-12+,18-16+

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DTZDZUCBLITYQY-PSPYUNTISA-N

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