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157501-12-7 | Hexadecanoic acid, 3,7,11-trimethyl-2,6,10-dodecatrien-1-yl ester
CAS No: 157501-12-7 Catalog No: AG001PHS MDL No:
Product Description
Catalog Number:
AG001PHS
Chemical Name:
Hexadecanoic acid, 3,7,11-trimethyl-2,6,10-dodecatrien-1-yl ester
CAS Number:
157501-12-7
Molecular Formula:
C31H56O2
Molecular Weight:
460.7751
IUPAC Name:
3,7,11-trimethyldodeca-2,6,10-trienyl hexadecanoate
InChI:
InChI=1S/C31H56O2/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-25-31(32)33-27-26-30(5)24-20-23-29(4)22-19-21-28(2)3/h21,23,26H,6-20,22,24-25,27H2,1-5H3
InChI Key:
JXOGISMTOCGSHX-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCCCCC(=O)OCC=C(CCC=C(CCC=C(C)C)C)C
Properties
Complexity:
549
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
460.428g/mol
Formal Charge:
0
Heavy Atom Count:
33
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
460.787g/mol
Monoisotopic Mass:
460.428g/mol
Rotatable Bond Count:
23
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
2
XLogP3:
12.7
Literature
| Title | Journal |
|---|---|
| Specificity of binding of all-trans-retinyl ester to RPE65. | Biochemistry 20051108 |
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