Structure Database (LMSD)

Common Name
(R)-beta-bisabolene
Systematic Name
(1R)-bisabola-4,7(11),10(15)-triene (4R)-1-methyl-4-(5-methyl-1-methylenehex-4-en-1-yl)cyclohexene
Synonyms
LM ID
LMPR0103060014
Formula
C15H24
Exact Mass
Calculate m/z
204.1878
Status
Curated
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Level 4 Class
Prenol Lipids [PR]
Isoprenoids [PR01]
C15 isoprenoids (sesquiterpenes) [PR0103]
Bisabolane sesquiterpenoids [PR010306]

String Representations

InChiKey (Click to copy)
XZRVRYFILCSYSP-HNNXBMFYSA-N
InChi (Click to copy)
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/t15-/m0/s1
SMILES (Click to copy)
C1(CC[C@]([H])(CC=1)C(=C)CC/C=C(/C)\C)C

Other Databases

CHEBI ID
49266
PubChem CID
68128

Calculated Physicochemical Properties

Heavy Atoms 15
Rings 1
Aromatic Rings 0
Rotatable Bonds 4
Van der Waals Molecular Volume 247.78
Topological Polar Surface Area 0.00
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 0
logP 5.04
Molar Refractivity 68.90

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Updated at
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