Structure Database (LMSD)

H H H
Common Name
(+)-longifolene
Systematic Name
(1S,3aR,4S,8aS)-4,8,8-trimethyl-9-methylidenedecahydro-1,4-methanoazulene
Synonyms
  • (+)-Longifolen
  • (1S,3aR,4S,8aS)-(+)-decahydro-4,8,8-trimethyl-9-methylene-1,4-methanoazulene
  • (1S,3aR,4S,8aS)-4,8,8-trimethyl-9-methylenedecahydro-1,4-methanoazulene
  • Junipen
  • Kuromatsuen
  • Longifolen
  • [1S-(1alpha,3abeta,4alpha,8abeta)]-decahydro-4,8,8-trimethyl-9-methylene-1,4-methanoazulene
  • d-longifolene
  • junipene
  • kuromatsuene
LM ID
LMPR0103500017
Formula
C15H24
Exact Mass
Calculate m/z
204.1878
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Main

Classification

Category
Main Class
Sub Class
Level 4 Class
Prenol Lipids [PR]
Isoprenoids [PR01]
C15 isoprenoids (sesquiterpenes) [PR0103]
Longifolane sesquiterpenoids [PR010350]

String Representations

InChiKey (Click to copy)
PDSNLYSELAIEBU-GUIRCDHDSA-N
InChi (Click to copy)
InChI=1S/C15H24/c1-10-11-6-7-12-13(11)14(2,3)8-5-9-15(10,12)4/h11-13H,1,5-9H2,2-4H3/t11-,12-,13+,15-/m1/s1
SMILES (Click to copy)
C1C[C@]2([H])C(=C)[C@@]3(C)CCCC(C)(C)[C@]2([H])[C@]31[H]

References

Other Databases

Wikipedia
longifolene
CHEBI ID
49282
PubChem CID
1796220
Cayman ID
37362

Calculated Physicochemical Properties

Heavy Atoms 15
Rings 3
Aromatic Rings 0
Rotatable Bonds 0
Van der Waals Molecular Volume 228.34
Topological Polar Surface Area 0.00
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 0
logP 4.42
Molar Refractivity 64.58

Admin

Created at
-
Updated at
-