Identification

PhytoHub ID
PHUB000142
Name
Patchoulen-beta
Synonyms
Not Available
CAS Number
Not Available
Average Mass
190.33
Monoisotopic Mass
190.172150708
Chemical Formula
C14H22
IUPAC Name
5,11,11-trimethyltricyclo[6.2.1.0²,⁶]undec-2(6)-ene
InChI Key
ZPKGZYDIXRIBAI-UHFFFAOYSA-N
InChI Identifier
InChI=1S/C14H22/c1-9-4-6-11-12(9)8-10-5-7-13(11)14(10,2)3/h9-10,13H,4-8H2,1-3H3
SMILES
CC1CCC2=C1CC1CCC2C1(C)C
Structure

Calculated Properties

Solubility (ALOGPS)
3.06e-02 g/l
LogS (ALOGPS)
-3.79
LogP (ALOGPS)
4.84
Hydrogen Acceptors
0
Hydrogen Donors
0
Rotatable Bond Count
0
Polar Surface Area
0.0
Refractivity
60.95269999999999
Polarizability
23.907735953974015
Formal Charge
0
Physiological Charge
0
pKa (strongest basic)
Not Available
pKa (strongest acidic)
Not Available
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Taxonomy

Family
Terpenoids
Class
Sesquiterpenoids
Sub-class
Not Available

Spectra

No spectra information available

Food Sources

NameGroup
CheeseMilk and milk products PublicationsShow

Metabolism

No metabolism information available

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