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10236-16-5 | 2-Hexadecen-1-ol, 3,7,11,15-tetramethyl-, 1-acetate, (2E,7R,11R)-
CAS No: 10236-16-5 Catalog No: AG00079C MDL No:
Product Description
Catalog Number:
AG00079C
Chemical Name:
2-Hexadecen-1-ol, 3,7,11,15-tetramethyl-, 1-acetate, (2E,7R,11R)-
CAS Number:
10236-16-5
Molecular Formula:
C22H42O2
Molecular Weight:
338.5677
IUPAC Name:
[(E,7R,11R)-3,7,11,15-tetramethylhexadec-2-enyl] acetate
InChI:
InChI=1S/C22H42O2/c1-18(2)10-7-11-19(3)12-8-13-20(4)14-9-15-21(5)16-17-24-22(6)23/h16,18-20H,7-15,17H2,1-6H3/b21-16+/t19-,20-/m1/s1
InChI Key:
JIGCTXHIECXYRJ-ILWBRPEASA-N
SMILES:
C[C@@H](CCC/C(=C/COC(=O)C)/C)CCC[C@@H](CCCC(C)C)C
EC Number:
233-565-9
UNII:
5YJX2M386O
FEMA Number:
4197
Properties
Complexity:
344
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
1
Exact Mass:
338.318g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
338.576g/mol
Monoisotopic Mass:
338.318g/mol
Rotatable Bond Count:
15
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
8.8
Literature
| Title | Journal |
|---|---|
| Antimycobacterial plant terpenoids. | Planta medica 20011101 |
| Antimycobacterial activity of (E)-phytol and derivatives: a preliminary structure-activity study. | Planta medica 19980201 |
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