Identification

PhytoHub ID
PHUB000103
Name
Bisabolen-beta
Synonyms
  • 1-methyl-4-(6-methylhepta-1,5-dien-2-yl)cyclohex-1-ene
CAS Number
Not Available
Average Mass
204.357
Monoisotopic Mass
204.187800773
Chemical Formula
C15H24
IUPAC Name
β-bisabolene
InChI Key
XZRVRYFILCSYSP-UHFFFAOYSA-N
InChI Identifier
InChI=1S/C15H24/c1-12(2)6-5-7-14(4)15-10-8-13(3)9-11-15/h6,8,15H,4-5,7,9-11H2,1-3H3
SMILES
CC(C)=CCCC(=C)C1CCC(C)=CC1
Structure

Calculated Properties

Solubility (ALOGPS)
8.41e-03 g/l
LogS (ALOGPS)
-4.39
LogP (ALOGPS)
6.01
Hydrogen Acceptors
0
Hydrogen Donors
0
Rotatable Bond Count
4
Polar Surface Area
0.0
Refractivity
70.2829
Polarizability
26.987960263211477
Formal Charge
0
Physiological Charge
0
pKa (strongest basic)
Not Available
pKa (strongest acidic)
Not Available
FreewebChemaxon powered

Taxonomy

Family
Terpenoids
Class
Sesquiterpenoids
Sub-class
Not Available

Spectra

Record IDSourceDescriptionView
JP000330MassBankEI-B Spectrum - -, [M]+*View Spectra
JP002283MassBankEI-B Spectrum - -, [M]+*View Spectra
JP002822MassBankEI-B Spectrum - -, [M]+*View Spectra
JP002823MassBankEI-B Spectrum - -, [M]+*View Spectra
JP002826MassBankEI-B Spectrum - -, [M]+*View Spectra
JP002842MassBankEI-B Spectrum - -, [M]+*View Spectra
JP002843MassBankEI-B Spectrum - -, [M]+*View Spectra
JP002848MassBankEI-B Spectrum - -, [M]+*View Spectra
JP002849MassBankEI-B Spectrum - -, [M]+*View Spectra
JP005159MassBankEI-B Spectrum - -, [M]+*View Spectra
JP005160MassBankEI-B Spectrum - -, [M]+*View Spectra
JP005249MassBankEI-B Spectrum - -, [M]+*View Spectra
JP005451MassBankEI-B Spectrum - -, [M]+*View Spectra
JP010687MassBankEI-B Spectrum - -, [M]+*View Spectra
JP010689MassBankEI-B Spectrum - -, [M]+*View Spectra
JP010691MassBankEI-B Spectrum - -, [M]+*View Spectra
JP010693MassBankEI-B Spectrum - -, [M]+*View Spectra

Food Sources

NameGroup
GingerHerbs and Spices PublicationsShow

Metabolism

No metabolism information available

Back