Structure Database (LMSD)

Common Name
(+)-delta-selinene
Systematic Name
(8aR)-4,8a-dimethyl-6-(propan-2-yl)-1,2,3,7,8,8a-hexahydronaphthalene eudesma-4,6-diene
Synonyms
  • (8aR)-6-isopropyl-4,8a-dimethyl-1,2,3,7,8,8a-hexahydronaphthalene
LM ID
LMPR0103880003
Formula
C15H24
Exact Mass
Calculate m/z
204.1878
Status
Active
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]
Gymnomitrane sesquiterpenoids [PR010388]

String Representations

InChiKey (Click to copy)
VEGYMPQCXPVQJY-OAHLLOKOSA-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/h10-11H,5-9H2,1-4H3/t15-/m1/s1
SMILES (Click to copy)
C1C(C(C)C)=CC2[C@@](C)(C1)CCCC=2C

Other Databases

CHEBI ID
49279
PubChem CID
12308846

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 4.87
Molar Refractivity 66.81

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Updated at
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