Structure Database (LMSD)

Common Name
(+)-beta-selinene
Systematic Name
(4aR,7R,8aS)-4a-methyl-1-methylidene-7-(prop-1-en-2-yl)decahydronaphthalene eudesma-4(14),11-diene
Synonyms
  • (+)-beta-selinene
  • (4aR,7R,8aS)-7-isopropenyl-4a-methyl-1-methylenedecahydronaphthalene
  • [4aR-(4aalpha,7alpha,8abeta)]-decahydro-4a-methyl-1-methylene-7-(1-methylethenyl)-naphthalene
  • beta-Selinene
  • beta-eudesmene
LM ID
LMPR0103190014
Formula
C15H24
Exact Mass
Calculate m/z
204.1878
Status
Active
Show lipids differing only in stereochemistry/bond geometry
View MassBank spectra

Classification

Category
Main Class
Sub Class
Level 4 Class
Prenol Lipids [PR]
Isoprenoids [PR01]
C15 isoprenoids (sesquiterpenes) [PR0103]
Eudesmane sesquiterpenoids [PR010319]

String Representations

InChiKey (Click to copy)
YOVSPTNQHMDJAG-QLFBSQMISA-N
InChi (Click to copy)
InChI=1S/C15H24/c1-11(2)13-7-9-15(4)8-5-6-12(3)14(15)10-13/h13-14H,1,3,5-10H2,2,4H3/t13-,14+,15-/m1/s1
SMILES (Click to copy)
[C@@]1(C[C@]2(C(CCC[C@@]2(CC1)C)=C)[H])([H])C(=C)C

Other Databases

KEGG ID
C09723
CHEBI ID
10443
PubChem CID
442393

Calculated Physicochemical Properties

Heavy Atoms 15
Rings 2
Aromatic Rings 0
Rotatable Bonds 1
Van der Waals Molecular Volume 238.06
Topological Polar Surface Area 0.00
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 0
logP 4.73
Molar Refractivity 66.74

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Created at
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Updated at
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