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159504-60-6 | Oxacyclotetradec-12-ene-2,11-dione, 14-pentyl-, (12E)-
CAS No: 159504-60-6 Catalog No: AG001R4B MDL No:
Product Description
Catalog Number:
AG001R4B
Chemical Name:
Oxacyclotetradec-12-ene-2,11-dione, 14-pentyl-, (12E)-
CAS Number:
159504-60-6
Molecular Formula:
C18H30O3
Molecular Weight:
294.4290
IUPAC Name:
14-pentyl-1-oxacyclotetradec-12-ene-2,11-dione
InChI:
InChI=1S/C18H30O3/c1-2-3-8-12-17-15-14-16(19)11-9-6-4-5-7-10-13-18(20)21-17/h14-15,17H,2-13H2,1H3
InChI Key:
SSQZBGJHGPTSLK-UHFFFAOYSA-N
SMILES:
CCCCCC1/C=C/C(=O)CCCCCCCCC(=O)O1
Properties
Complexity:
333
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
294.219g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
294.435g/mol
Monoisotopic Mass:
294.219g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
1
XLogP3:
5.1
Literature
| Title | Journal |
|---|---|
| New class of linoleic acid metabolites biosynthesized by corn and rice lipoxygenases: suppression of proinflammatory mediator expression via attenuation of MAPK- and Akt-, but not PPARgamma-, dependent pathways in stimulated macrophages. | Biochemical pharmacology 20051101 |
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