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140460-58-8 | 5-Heptenoic acid, 7-[3-(2-hydroxy-3,5-undecadienyl)oxiranyl]-, [2R-[2α(Z),3α(2R*,3E,5Z)]]- (9CI)
CAS No: 140460-58-8 Catalog No: AG001CHM MDL No:
Product Description
Catalog Number:
AG001CHM
Chemical Name:
5-Heptenoic acid, 7-[3-(2-hydroxy-3,5-undecadienyl)oxiranyl]-, [2R-[2α(Z),3α(2R*,3E,5Z)]]- (9CI)
CAS Number:
140460-58-8
Molecular Formula:
C20H32O4
Molecular Weight:
336.4657
IUPAC Name:
7-[3-(2-hydroxyundecyl)oxiran-2-yl]hepta-2,4,6-trienoic acid
InChI:
InChI=1S/C20H32O4/c1-2-3-4-5-6-7-10-13-17(21)16-19-18(24-19)14-11-8-9-12-15-20(22)23/h8-9,11-12,14-15,17-19,21H,2-7,10,13,16H2,1H3,(H,22,23)
InChI Key:
IVKPGFQDWCCRPR-UHFFFAOYSA-N
SMILES:
CCCCCCCCCC(CC1OC1C=CC=CC=CC(=O)O)O
Properties
Complexity:
425
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
336.23g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
336.472g/mol
Monoisotopic Mass:
336.23g/mol
Rotatable Bond Count:
14
Topological Polar Surface Area:
70.1A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
3
XLogP3:
5.3
Literature
| Title | Journal |
|---|---|
| Age-related decrease in 15-lipoxygenase contributes to reduced vasorelaxation in rabbit aorta. | American journal of physiology. Heart and circulatory physiology 20080201 |
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