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(E) -beta-Farnesene

CAT: 0127-OR1002602-03Size: 5 gDry Ice: NoHazardous: No
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CAT#:0127-OR1002602-03Size:5 g
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CAS Number
18794-84-8
Synonyms
Trans-7,11-Dimethyl-3-methylene-1,6,10-dodecatriene
MDL Number
MFCD00065433
Purity
95%
Smiles
CC(C)=CCC\C(C)=C\CCC(=C)C=C

Chemical Information

beta-Farnesene

Trans-beta-farnesene is a beta-farnesene in which the double bond at position 6-7 has E configuration. It is the major or sole alarm pheromone in most species of aphid. It has a role as a metabolite and an alarm pheromone.

CAS Number18794-84-8
PubChem CID5281517
IUPAC Name(6E)-7,11-dimethyl-3-methylidenedodeca-1,6,10-triene
Molecular FormulaC15H24
Molecular Weight204.35
XLogP6.2
Topological Polar Surface Area0
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count7
Heavy Atom Count15
Formal Charge0
Complexity260
SMILES
CC(=CCC/C(=C/CCC(=C)C=C)/C)C
InChI
InChI=1S/C15H24/c1-6-14(4)10-8-12-15(5)11-7-9-13(2)3/h6,9,12H,1,4,7-8,10-11H2,2-3,5H3/b15-12+
InChIKey
JSNRRGGBADWTMC-NTCAYCPXSA-N
Chemical Structure
2D Structure
2D structure of beta-Farnesene
CAS: 18794-84-8
CID: 5281517
Formula: C15H24
MW: 204.35
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight204.35
XLogP36.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count7
Exact Mass204.187800766
Monoisotopic Mass204.187800766
Topological Polar Surface Area0 Ų
Heavy Atom Count15
Formal Charge0
Complexity260
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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