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10236-16-5,MFCD00673238
Catalog No.:AA00076K
10236-16-5 | (7R,11R,E)-3,7,11,15-Tetramethylhexadec-2-en-1-yl acetate
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5g
>88.0%(GC)
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25g
>88.0%(GC)
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Technical Information
Catalog Number:
AA00076K
Chemical Name:
(7R,11R,E)-3,7,11,15-Tetramethylhexadec-2-en-1-yl acetate
CAS Number:
10236-16-5
Molecular Formula:
C22H42O2
Molecular Weight:
338.5677
MDL Number:
MFCD00673238
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
Computed 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  

Synonyms
 
Phytyl acetate 
UNII-5YJX2M386O 
(R-(R*,R*-(E)))-3,7,11,15-Tetramethylhexadec-2-enyl acetate 
(E)-Phytyl acetate 
2-Hexadecen-1-ol, 3,7,11,15-tetramethyl-, acetate, (theta-(theta,theta-(E)))- 
(7R,11R,E)-3,7,11,15-Tetramethylhexadec-2-en-1-yl acetate 
2-Hexadecen-1-ol, 3,7,11,15-tetramethyl-, 1-acetate, (2E,7R,11R)- 
5016-85-3 
3,7,11,15-Tetramethyl-2-hexadecenyl Acetate 
Phytyl acetate, (E)- 
AC1LCTP7 
SCHEMBL4990812 
EINECS 233-565-9 
ZINC5758645 
BDBM50041413 
AKOS025293976 
AN-20364 
LS-74874 
TR-000599 
UNII-18LPS1IF8H component JIGCTXHIECXYRJ-ILWBRPEASA-N 
Acetic acid (7R,11R)-3,7,11,15-tetramethyl-2-hexadecenyl ester 
(7R,11R)-3,7,11,15-Tetramethyl-2-hexadecenyl acetate, AldrichCPR 
Acetic acid (2E,7R,11R)-3,7,11,15-tetramethyl-2-hexadecenyl ester 
10236-16-5 
Z-Phytyl acetate 
Phytyl acetate, (Z)- 
UNII-3POO36JG9L 
FEMA No. 4197, Z- 
C22H42O2 
Phytol, acetate, (7R,11R)-Z- 
CID637195 
C22-H42-O2 
2-Hexadecen-1-ol, 3,7,11,15-tetramethyl-, acetate, [R-[R,R-(E)]]- 
[R-[R*,R*-(E)]]-3,7,11,15-tetramethylhexadec-2-enyl acetate 
5YJX2M386O 
2-Hexadecen-1-ol, 3,7,11,15-tetramethyl-, acetate, (R-(R*,R*-(Z)))- 
2-Hexadecen-1-ol, 3,7,11,15-tetramethyl-, acetate, [R-[R*,R*-(E)]]- 
(R - (R*,R* - (E))) - 3,7,11,15 - tetramethylhexadec - 2 - enyl acetate 
CHEMBL3356397 
[(E,7R,11R)-3,7,11,15-tetramethylhexadec-2-enyl] acetate 
2-Hexadecen-1-ol, 3,7,11,15-tetramethyl-, acetate, (2E,7R,11R)- 
2-Hexadecen-1-ol, 3,7,11,15-tetramethyl-, acetate, (R-(R*,R*-(E)))- 
2-Hexadecen-1-ol,3,7,11,15-tetramethyl-, acetate, (R-(R*,R*-(E))) 
Literature

Title: Antimycobacterial plant terpenoids.

Journal: Planta medica 20011101

Title: Antimycobacterial activity of (E)-phytol and derivatives: a preliminary structure-activity study.

Journal: Planta medica 19980201

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